SCHEMBL8874567

SCHEMBL8874567

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
TACR1 P25103 4/20 0.61
MEN1 O00255 4/20 0.61
MAPT P10636 2/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
FNTA P49354 3/20 0.52
FNTB P49356 3/20 0.52
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL8873856 0.90 TACR1 (0.67) KMT2ATACR1MEN1MAPTCYP3A4
SCHEMBL9729596 0.87 TACR1 (0.80) KMT2ATACR1MEN1MAPTCYP3A4
SCHEMBL9729430 0.87 TACR1 (0.80) KMT2ATACR1MEN1MAPTCYP3A4
SCHEMBL8874475 0.86 TACR1 (0.57) KMT2ATACR1MEN1MAPTCYP3A4
SCHEMBL8874626 0.79 TACR1 (0.54) KMT2ATACR1MEN1MAPTCYP3A4
SCHEMBL8875314 0.79 FNTA (0.52) KMT2ATACR1MEN1MAPTCYP3A4
Hydrochloric Acid SCHEMBL8873794 0.78 FNTA (0.52) KMT2ATACR1MEN1MAPTCYP3A4
SCHEMBL8875081 0.78 FNTA (0.54) KMT2ATACR1MEN1MAPTCYP3A4
SCHEMBL9729902 0.77 TACR1 (0.66) KMT2ATACR1MEN1MAPTCYP3A4
SCHEMBL9729331 0.76 TACR1 (0.68) KMT2ATACR1MEN1MAPTCYP3A4

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