SCHEMBL8976770

SCHEMBL8976770

CCC[CH]C(NCCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
GRM7 Q14831 1/20 0.39
CYP3A4 P08684 8/20 0.38
CYP1A2 P05177 7/20 0.38
TSHR P16473 5/20 0.38
CYP2C19 P33261 5/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP2C9 P11712 3/20 0.38
ALOX15 P16050 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 4/20 0.38
KCNN4 O15554 1/20 0.38
KCNA5 P22460 1/20 0.38
LMNA P02545 3/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL8977015 0.90 CYP1A2 (0.46) SIGMAR1MTORRAB9AGRM7CYP3A4
SCHEMBL8976810 0.87 SIGMAR1 (0.44) SIGMAR1MTORRAB9AGRM7CYP3A4
SCHEMBL9158629 0.85 ALDH1A1 (0.48) CYP3A4CYP1A2TSHRCYP2C19ALDH1A1
SCHEMBL8091279 0.84 SIGMAR1 (0.50) SIGMAR1CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL9373860 0.83 SIGMAR1 (0.52) SIGMAR1CYP3A4CYP1A2TSHRCYP2C19
SCHEMBL9373634 0.77 CYP1A2 (0.41) CYP3A4CYP1A2TSHRCYP2C19ALDH1A1
SCHEMBL1118824 0.72 MTOR (0.74) SIGMAR1MTORRAB9AGRM7CYP3A4
SCHEMBL9150904 0.72 SIGMAR1 (0.49) SIGMAR1RAB9ACYP3A4CYP1A2TSHR
SCHEMBL8091460 0.71 CYP3A4 (0.45) MTORRAB9AGRM7CYP3A4CYP1A2
SCHEMBL9374331 0.71 SIGMAR1 (0.49) SIGMAR1KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284621-B1 NEW PSYCHOSTIMULANT AGENT CHINOIN GYOGYSZER ES VEGYESZET (HU) 1995-01-18 EP claimed
EP-0617615-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1994-10-05 EP claimed
WO-1993012775-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-07-08 WO claimed
US-5220068-A N-propyl-1-phenyl-2-alkylamines CHINOIN GYOGYSZER - ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-06-15 US claimed
US-5075338-A Using aryl secondary amine CHINOIN GYOGYSZER- ES VERGYESZETI TERMEKEK GYARA RT. (HU) 1991-12-24 US claimed
EP-0284621-A1 NEW PSYCHOSTIMULANT AGENT. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1988-10-05 EP claimed
WO-1988002254-A1 NEW PSYCHOSTIMULANT AGENT Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-04-07 WO claimed
US-5589513-A TREATMENT OF NEURODEGENERATIVE DISEASES; MONOAMINE OXIDASE INHIBITOR AND UPTAKE INHIBITOR CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1996-12-31 US disclosed
EP-0284621-B1 NEW PSYCHOSTIMULANT AGENT CHINOIN GYOGYSZER ES VEGYESZET (HU) 1995-01-18 EP disclosed
WO-1993012775-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-07-08 WO disclosed
US-5220068-A N-propyl-1-phenyl-2-alkylamines CHINOIN GYOGYSZER - ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-06-15 US disclosed
US-5075338-A Using aryl secondary amine CHINOIN GYOGYSZER- ES VERGYESZETI TERMEKEK GYARA RT. (HU) 1991-12-24 US disclosed
EP-0284621-A1 NEW PSYCHOSTIMULANT AGENT. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1988-10-05 EP disclosed
WO-1988002254-A1 NEW PSYCHOSTIMULANT AGENT Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-04-07 WO disclosed