SCHEMBL6959205

SCHEMBL6959205

Clc1ccc2[nH]c(CCCCN3CCCC(Cc4ccccc4)C3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
BCHE P06276 1/20 0.44
CCR3 P51677 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL6950244 0.92 CARM1 (0.47) CARM1PRMT6BCHECCR3SIGMAR1
SCHEMBL6951372 0.89 MEN1 (0.48) CARM1PRMT6BCHECCR3SIGMAR1
SCHEMBL6959686 0.86 CCR3 (0.51) CARM1PRMT6BCHECCR3SIGMAR1
SCHEMBL6959344 0.84 BCHE (0.46) CARM1PRMT6BCHECCR3SIGMAR1
SCHEMBL6955452 0.83 CARM1 (0.47) CARM1PRMT6BCHECCR3SIGMAR1
SCHEMBL6954412 0.81 TACR3 (0.43) KDM4EHRH3GRIN2B
SCHEMBL6950509 0.80 HTR2A (0.51) CARM1PRMT6CCR3SLC6A2SLC6A4
SCHEMBL6955497 0.80 CCR3 (0.51) CARM1PRMT6BCHECCR3SIGMAR1
SCHEMBL6951363 0.80 HTR1A (0.55) SLC6A4MAPT
SCHEMBL6959021 0.79 CARM1 (0.45) CARM1PRMT6BCHECCR3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993458-B1 3-BENZYLPIPERIDINE MERCK PATENT GMBH (DE) 2003-04-09 EP disclosed
US-6333339-B1 CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) 2001-12-25 US disclosed
EP-0993458-A1 3-BENZYLPIPERIDINE MERCK PATENT GmbH (DE) 2000-04-19 EP disclosed
WO-1998057953-A1 3-BENZYLPIPERIDINE MERCK PATENT GMBH (DE) 1998-12-23 WO disclosed