SCHEMBL7011235

SCHEMBL7011235

Fc1ccc2[nH]cc(C3CCN4CCCC4C3)c2c1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.84
OPRM1 P35372 2/20 0.58
OPRK1 P41145 2/20 0.58
OPRL1 P41146 2/20 0.58
HTR1A P08908 4/20 0.56
HTR2A P28223 2/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR1B P28222 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HSD11B1 P28845 2/20 0.55
HTR2C P28335 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
SCHEMBL6086908 0.91 SLC6A4 (1.00) SLC6A4OPRM1OPRK1OPRL1HTR1A
SCHEMBL6996942 0.85 SLC6A4 (0.61) SLC6A4OPRM1OPRK1OPRL1HTR1B
SCHEMBL6642008 0.85 HTR1D (0.63) SLC6A4OPRM1OPRK1OPRL1HTR1B
SCHEMBL8381443 0.85 CYP1A2 (0.63) SLC6A4OPRM1OPRK1OPRL1HTR1A
SCHEMBL7002497 0.84 SLC6A4 (0.61) SLC6A4OPRM1OPRK1OPRL1HTR1A
SCHEMBL6995996 0.83 SLC6A4 (0.59) SLC6A4OPRM1OPRK1OPRL1HTR1B
SCHEMBL7003242 0.82 SLC6A4 (0.57) SLC6A4OPRM1OPRK1OPRL1HTR1A
SCHEMBL7014120 0.80 SLC6A4 (0.56) SLC6A4OPRM1OPRK1OPRL1HTR1A
SCHEMBL6997701 0.80 HTR1D (0.57) SLC6A4HTR1AHTR1BHSD11B1
SCHEMBL7014117 0.80 SLC6A4 (0.56) SLC6A4OPRM1OPRK1OPRL1HTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105393-B1 BICYCLIC PIPERIDINE AND PIPERAZINE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY NPS ALLELIX CORP (CA) 2003-10-01 EP disclosed
US-6251893-B1 TREATING CENTRAL NERVOUS SYSTEM DISORDERS NPS ALLELIX CORP. (CA) 2001-06-26 US disclosed
US-5874427-A MIGRAINE ELI LILLY AND COMPANY (US) 1999-02-23 US disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
WO-1998046570-A1 SUBSTITUTED HETEROAROMATIC 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed