SCHEMBL8112359

SCHEMBL8112359

COCC1CC1(C#N)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
SLC6A2 P23975 7/20 0.33
SLC6A4 P31645 7/20 0.33
SLC6A3 Q01959 4/20 0.33
DPP4 P27487 1/20 0.33
MAOB P27338 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL8112362 1.00 SMN1; SMN2 (0.34) SMN1; SMN2HTR2AHTR2CHTR2BSLC6A2
SCHEMBL21107627 1.00 SMN1; SMN2 (0.34) SMN1; SMN2HTR2AHTR2CHTR2BSLC6A2
SCHEMBL11133978 0.81 HTR2C (0.36) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6184368 0.80 CTSL (0.44) MAOBOPRM1
SCHEMBL4023967 0.80 CTSL (0.44) MAOBOPRM1
SCHEMBL6173682 0.80 CTSL (0.44) MAOBOPRM1
SCHEMBL4021721 0.80 CTSL (0.44) MAOBOPRM1
SCHEMBL4021471 0.80 CTSL (0.44) MAOBOPRM1
SCHEMBL4808314 0.79 MAOB (0.35) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL4402453 0.78 PTGS2 (0.36) HTR2AHTR2CHTR2BMAOBOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed