SCHEMBL8875314

SCHEMBL8875314

COc1ccccc1CC(=O)N1CC2C(=O)C=CC(C)(C)C2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.52
FNTB P49356 3/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TACR1 P25103 4/20 0.48
MAPT P10636 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43

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
Hydrochloric Acid SCHEMBL8873794 0.99 FNTA (0.52) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8873404 0.90 FNTA (0.54) FNTAFNTBKMT2AMEN1TACR1
Hydrochloric Acid SCHEMBL8873935 0.89 FNTA (0.53) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8873856 0.79 TACR1 (0.67) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8874567 0.79 KMT2A (0.61) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8875772 0.79 FNTA (0.52) FNTAFNTBKMT2AMEN1MAPT
SCHEMBL9729430 0.76 TACR1 (0.80) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL9729596 0.76 TACR1 (0.80) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8873499 0.74 FNTA (0.57) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8874595 0.74 FNTA (0.57) FNTAFNTBKMT2AMEN1TACR1

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-5624950-A USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS RHONE-POULENC RORER S.A. (FR) 1997-04-29 US disclosed