SCHEMBL7304949

SCHEMBL7304949

O=C1CC2(CCCC2)CC(=O)N1CCCCBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.52
ALDH1A1 P00352 4/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
SLC22A2 O15244 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2C P18825 1/20 0.51
CNR1 P21554 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
HRH1 P35367 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9035109 0.98 HTR1A (0.51) HTR1AALDH1A1ADRA1AADRA1BCYP1A2
SCHEMBL9034075 0.95 HTR1A (0.50) HTR1AALDH1A1ADRA1AADRA1BCYP1A2
SCHEMBL6580269 0.87 HTR1A (0.48) HTR1AALDH1A1ADRA1AADRA1BCYP1A2
SCHEMBL6580422 0.85 HTR1A (0.47) HTR1AALDH1A1ADRA1AADRA1BCYP1A2
SCHEMBL10469887 0.83 HTR1A (0.38) HTR1AALDH1A1ADRA1AADRA1BCYP1A2
SCHEMBL12557639 0.82 HTR1A (0.52) HTR1AALDH1A1ADRA1AADRA1BCYP1A2
SCHEMBL18463363 0.82 HTR1A (0.52) HTR1AALDH1A1ADRA1AADRA1BCYP1A2
SCHEMBL9778481 0.82 HTR1A (0.52) HTR1AALDH1A1ADRA1AADRA1BCYP1A2
SCHEMBL7410588 0.82 HTR1A (0.55) HTR1AALDH1A1ADRA1AADRA1BCYP1A2
SCHEMBL10469856 0.81 HTR1A (0.39) HTR1AALDH1A1ADRA1AADRA1BCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395192-A2 Process for the preparation of 8-(4-(4-pyrimidin-2-yl-piperazinyl)-butyl)-8-aza-spiro(4.5)decane-7,9-dione (buspiron) ALKALOIDA VEGYESZETI GYAR (HU) 1990-10-31 EP claimed
EP-0422134-B1 5-HT SELECTIVE AGENTS ABBOTT LAB (US) 1996-06-12 EP disclosed
EP-0571243-B1 Thiochromane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-07-26 EP disclosed
EP-0515462-B1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1995-05-31 EP disclosed
US-5420150-A Antidepressants and treatment of anxiety GUILLAUMET GERALD (FR) 1995-05-30 US disclosed
US-5397783-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1995-03-14 US disclosed
US-5395841-A 4-benzylpiperidines for treating phychosis FERRER INTERNACIONAL, S.A. (ES) 1995-03-07 US disclosed
US-5389668-A Thiochroman compounds ADIR ET COMPAGNIE (FR) 1995-02-14 US disclosed
US-5385930-A Treating central nervous system disorders like anxiety and depression ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
US-5376661-A Psychological disorders ADIR ET COMPAGNIE (FR) 1994-12-27 US disclosed
WO-1991012252-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-08-22 WO disclosed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 WO disclosed
EP-0422134-A1 5-HT SELECTIVE AGENTS. ABBOTT LAB (US) 1991-04-17 EP disclosed
EP-0395192-A2 Process for the preparation of 8-(4-(4-pyrimidin-2-yl-piperazinyl)-butyl)-8-aza-spiro(4.5)decane-7,9-dione (buspiron) ALKALOIDA VEGYESZETI GYAR (HU) 1990-10-31 EP disclosed
WO-1990006927-A1 5-HT SELECTIVE AGENTS ABBOTT LABORATORIES (US) 1990-06-28 WO disclosed
US-4581357-A Antipsychotic 5-fluoro-pyrimidin-2-yl piperazine compound MEAD JOHNSON & COMPANY (US) 1986-04-08 US disclosed
US-4452799-A NEUROLEPTIC AGENTS MEAD JOHNSON & COMPANY (US) 1984-06-05 US disclosed
US-4411901-A ANTIPSYCHOTICS MEAD JOHNSON & COMPANY (US) 1983-10-25 US disclosed
US-4320131-A N-[(4-Phenyl-1,2,3,6-tetrahydropyridin-1-yl)alkylene]azaspiroalkanediones and N-[(4-hydroxy-4-phenylpiperidin-1-yl)alkylene]azaspiroalkanediones MEAD JOHNSON & COMPANY (US) 1982-03-16 US disclosed
US-4305944-A TRANQUILIZERS, NEUROLEPTIC AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-15 US disclosed