SCHEMBL8874686

SCHEMBL8874686

COc1ccccc1CC(=O)N1CC2C(C1)C(O)(c1ccccc1OC)CCC2(C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.60
FNTB P49356 6/20 0.60
TACR1 P25103 5/20 0.55
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 2/20 0.45
GRIN2B Q13224 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL8956909 0.90 TACR1 (0.67) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8545840 0.90 TACR1 (0.67) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8875074 0.88 FNTA (0.54) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8875081 0.88 FNTA (0.54) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8875525 0.85 FNTA (0.51) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8956927 0.84 TACR1 (0.64) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8548669 0.84 TACR1 (0.64) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8956821 0.83 TACR1 (0.61) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8956981 0.83 FNTA (0.62) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL7582580 0.82 TACR1 (0.66) FNTAFNTBTACR1KMT2AMEN1

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