SCHEMBL9401042

SCHEMBL9401042

COc1ccc(-c2cnc(N3CCN(CCCCN)CC3)nc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
DRD2 P14416 3/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
HRH3 Q9Y5N1 3/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.43
SLC6A7 Q99884 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9400941 0.96 HSD17B10 (0.64) HSD17B10DRD2DRD4DRD3SIGMAR1
SCHEMBL9401068 0.85 TLR7 (0.55) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL9400948 0.84 SLC6A4 (0.52) DRD2DRD4DRD3SIGMAR1HTR1A
SCHEMBL9400960 0.83 CYP2D6 (0.54) DRD2DRD4DRD3SIGMAR1HTR1A
SCHEMBL9401076 0.81 TLR7 (0.56) HSD17B10DRD2DRD4DRD3HTR1A
SCHEMBL9400921 0.80 HTR1A (0.49) HSD17B10DRD2DRD4DRD3HTR1A
SCHEMBL9401021 0.80 SLC6A4 (0.51) DRD2DRD3SIGMAR1HTR1AHRH3
SCHEMBL9400873 0.79 CYP2D6 (0.59) DRD2DRD4DRD3SIGMAR1HTR1A
SCHEMBL3186225 0.79 HSD17B10 (0.91) HSD17B10DRD2DRD4DRD3HTR1A
SCHEMBL11347208 0.78 HSD17B10 (0.89) HSD17B10DRD2DRD4DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
US-5187276-A Anxiolytics, neuroleptics, antidepressants, and nootropic agents TROPONWERKE GMBH & CO. KG. (DE) 1993-02-16 US disclosed
US-4988809-A CENTRAL NERVOUS SYSTEM TROPONWERKE GMBH & CO., KG (DE) 1991-01-29 US disclosed
EP-0129128-B1 2-PYRIMIDINYL-1-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1990-11-22 EP disclosed
US-4937343-A NEUROLEPTICS OR ANTIDEPRESSANTS TROPONWERKE GMBH & CO. KG (DE) 1990-06-26 US disclosed
US-4818756-A CENTRAL NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO., KG (DE) 1989-04-04 US disclosed
EP-0129128-A2 2-Pyrimidinyl-1-piperazine derivatives, process for their preparation and medicines containing them Troponwerke GmbH & Co. KG (DE) 1984-12-27 EP disclosed