SCHEMBL9400979

SCHEMBL9400979

O=C1c2ccccc2C(=O)N1CC(O)CN1CCN(c2ncc(-c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.47
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 2/20 0.42
HTR7 P34969 2/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9400890 0.87 KMT2A (0.55) HTR1AKDM4EALDH1A1DRD2HTR7
SCHEMBL9479880 0.84 ALDH1A1 (0.56) HTR1AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9401058 0.84 HTR1A (0.60) HTR1ALMNA
SCHEMBL9400933 0.83 HTR1A (0.63) HTR1AMAPTKDM4ELMNAALDH1A1
SCHEMBL9400860 0.82 HTR1A (0.70) HTR1ADRD2
SCHEMBL9400969 0.82 HTR1A (0.67) HTR1ADRD2
SCHEMBL9400994 0.81 HTR1A (0.42) HTR1AMAPTKDM4EALDH1A1RAB9A
SCHEMBL9401071 0.81 HTR1A (0.45) HTR1AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL11104845 0.75 ALDH1A1 (0.63) MAPTHTTKDM4ELMNAALDH1A1
SCHEMBL9400872 0.75 HTR1A (0.54) HTR1AMAPTLMNAALDH1A1DRD2

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