SCHEMBL6950244

SCHEMBL6950244

Clc1ccc2cc(CCCCN3CCCC(Cc4ccccc4)C3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
BCHE P06276 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
DRD4 P21917 2/20 0.43
CCR3 P51677 3/20 0.43
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
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
DRD1 P21728 1/20 0.40
HTR2A P28223 2/20 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
SCHEMBL6959205 0.92 CARM1 (0.47) CARM1PRMT6BCHESIGMAR1CCR3
SCHEMBL6955452 0.89 CARM1 (0.47) CARM1PRMT6BCHESIGMAR1CCR3
SCHEMBL6955497 0.86 CCR3 (0.51) CARM1PRMT6BCHESIGMAR1DRD4
SCHEMBL6950509 0.86 HTR2A (0.51) CARM1PRMT6CCR3SLC6A2SLC6A4
SCHEMBL6959021 0.84 CARM1 (0.45) CARM1PRMT6BCHESIGMAR1CCR3
SCHEMBL6951372 0.83 MEN1 (0.48) CARM1PRMT6BCHESIGMAR1CCR3
SCHEMBL6956012 0.81 TACR3 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6959686 0.80 CCR3 (0.51) CARM1PRMT6BCHESIGMAR1DRD4
SCHEMBL6958541 0.80 SLC6A4 (0.49) CARM1PRMT6BCHESIGMAR1DRD4
SCHEMBL6959344 0.79 BCHE (0.46) CARM1PRMT6BCHESIGMAR1CCR3

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