SCHEMBL8959562

SCHEMBL8959562

C[C@@](N)(Cn1ccc2ccc(F)cc21)OC(=O)/C=C/C(=O)O[C@](C)(N)Cn1ccc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
HTR2A P28223 2/20 0.46
AR P10275 5/20 0.43
HTR7 P34969 1/20 0.38
CNR1 P21554 2/20 0.36
FABP4 P15090 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NR3C1 P04150 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL27356666 1.00 HTR2C (0.46) HTR2CHTR2AARHTR7CNR1
SCHEMBL8959678 0.91 HTR2C (0.46) HTR2CHTR2AARFABP4PPARG
SCHEMBL8959479 0.91 HTR2C (0.46) HTR2CHTR2AARFABP4PPARG
SCHEMBL27528051 0.87 HTR2A (0.45) HTR2CHTR2AHTR7FABP4MTNR1A
SCHEMBL8959608 0.87 HTR2A (0.45) HTR2CHTR2AARMTNR1AMTNR1B
SCHEMBL8959581 0.87 HTR2A (0.45) HTR2CHTR2AHTR7FABP4MTNR1A
SCHEMBL7997832 0.86 KMO (0.48) HTR2CHTR2AARHTR7PPARG
SCHEMBL8959864 0.83 HTR2A (0.49) HTR2CHTR2AAR
SCHEMBL8959561 0.83 HTR2A (0.49) HTR2CHTR2AAR
SCHEMBL8959713 0.83 HTR2A (0.49) HTR2CHTR2AAR

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