SCHEMBL6959686

SCHEMBL6959686

N#Cc1ccc2[nH]c(CCCCN3CCCC(Cc4ccccc4)C3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.51
HTR2A P28223 2/20 0.51
DRD2 P14416 8/20 0.49
DRD3 P35462 8/20 0.49
DRD4 P21917 6/20 0.49
MEN1 O00255 1/20 0.46
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
VCP P55072 1/20 0.41
SLC6A4 P31645 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
BCHE P06276 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
SCHEMBL6955497 0.93 CCR3 (0.51) CCR3HTR2ADRD2DRD3DRD4
SCHEMBL6951372 0.86 MEN1 (0.48) CCR3HTR2AMEN1CARM1PRMT6
SCHEMBL6959205 0.86 CARM1 (0.47) CCR3HTR2ACARM1PRMT6SLC6A4
SCHEMBL6953902 0.82 DRD2 (0.44) CCR3HTR2ADRD2DRD3DRD4
SCHEMBL6959344 0.82 BCHE (0.46) CCR3HTR2ADRD3MEN1CARM1
SCHEMBL6954494 0.81 SLC6A4 (0.61) SLC6A4
SCHEMBL6954897 0.81 SLC6A4 (0.61) SLC6A4
SCHEMBL6957708 0.81 SLC6A4 (0.61) SLC6A4
SCHEMBL6950244 0.80 CARM1 (0.47) CCR3HTR2ADRD4CARM1PRMT6
SCHEMBL6955452 0.80 CARM1 (0.47) CCR3HTR2AMEN1CARM1PRMT6

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