SCHEMBL8874475

SCHEMBL8874475

COc1ccccc1CC(=O)N1CC2C(=O)CCC(O)(c3ccccc3OC)C2C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
FNTA P49354 5/20 0.54
FNTB P49356 5/20 0.54
SIGMAR1 Q99720 2/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 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
SCHEMBL8874567 0.86 KMT2A (0.61) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL8873856 0.84 TACR1 (0.67) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729596 0.83 TACR1 (0.80) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729430 0.83 TACR1 (0.80) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL8875074 0.83 FNTA (0.54) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL8875081 0.83 FNTA (0.54) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL8874686 0.82 FNTA (0.60) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL8956909 0.81 TACR1 (0.67) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL8545840 0.81 TACR1 (0.67) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL8874506 0.80 FNTA (0.58) TACR1KMT2AMEN1CYP3A4MAPT

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