SCHEMBL8959547

SCHEMBL8959547

Cc1ccc2c(ccn2C[C@@](C)(N)OC(=O)/C=C/C(=O)O[C@](C)(N)Cn2ccc3cc(C)ccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.45
HTR2A P28223 2/20 0.45
FABP4 P15090 2/20 0.39
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PRMT5 O14744 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TFPI2 P48307 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MCL1 Q07820 1/20 0.33
TUBB4A P04350 2/20 0.33

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
SCHEMBL27342171 1.00 HTR2C (0.45) HTR2CHTR2AFABP4CDK4CCND1
SCHEMBL27528051 0.90 HTR2A (0.45) HTR2CHTR2AFABP4PRMT5MAOA
SCHEMBL8959581 0.90 HTR2A (0.45) HTR2CHTR2AFABP4PRMT5MAOA
SCHEMBL27340857 0.87 HTR2A (0.46) HTR2CHTR2AFABP4HDAC3HDAC1
SCHEMBL8959588 0.87 HTR2A (0.46) HTR2CHTR2ACDK4CCND1HDAC3
SCHEMBL27524962 0.87 HTR2A (0.46) HTR2CHTR2ACDK4CCND1HDAC3
SCHEMBL8959479 0.87 HTR2C (0.46) HTR2CHTR2AFABP4CDK4CCND1
SCHEMBL8959678 0.87 HTR2C (0.46) HTR2CHTR2AFABP4CDK4CCND1
SCHEMBL8959618 0.87 HTR2A (0.46) HTR2CHTR2AFABP4HDAC3HDAC1
SCHEMBL8959608 0.83 HTR2A (0.45) HTR2CHTR2AHDAC1HDAC6MTNR1A

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-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed