SCHEMBL6960163

SCHEMBL6960163

CCOc1ccc2c(CCCCN3CCCC(Cc4ccccc4)C3)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
HTR1A P08908 2/20 0.42
HTR2A P28223 1/20 0.42
CCR3 P51677 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 1/20 0.42
SLC6A4 P31645 1/20 0.41

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
SCHEMBL6954396 0.93 HTR1D (0.50) HTR1DHTR1BHTR1ASLC6A4
SCHEMBL6947219 0.91 HTR1A (0.52) HTR1AHTR2ACCR3SLC6A4
SCHEMBL6955648 0.86 HTR2A (0.48) CARM1PRMT6HTR1AHTR2ACCR3
SCHEMBL6956030 0.85 HTR1A (0.50) CARM1PRMT6HTR1DHTR1BHTR1A
SCHEMBL6958541 0.85 SLC6A4 (0.49) CARM1PRMT6HTR1DHTR1BHTR1A
SCHEMBL6950516 0.84 HTR1A (0.56) CARM1PRMT6HTR1DHTR1BHTR1A
SCHEMBL6954556 0.84 HTR1A (0.60) HTR1BHTR1AHTR2ASLC6A4
SCHEMBL6958270 0.83 TACR1 (0.51) MEN1KMT2ABCHE
SCHEMBL7879009 0.83 HTR1A (0.55) CARM1PRMT6HTR1AHTR2ACCR3
SCHEMBL6953432 0.82 SLC6A4 (0.52) HTR1AHTR2ACCR3SLC6A4

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