SCHEMBL9690990

SCHEMBL9690990

COc1ccc(CCN(C)CCCNC(=O)c2ccc(C)nc2O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.57
TMEM97 Q5BJF2 3/20 0.57
SIGMAR1 Q99720 3/20 0.57
PKM P14618 1/20 0.51
CYP3A4 P08684 3/20 0.50
OPRK1 P41145 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL9691008 0.85 KCNH2 (0.52) PKMMAPTTP53POLBALDH1A1
SCHEMBL9809684 0.84 MAPT (0.54) OPRM1TMEM97SIGMAR1PKMCYP3A4
SCHEMBL9809681 0.82 OPRM1 (0.56) OPRM1TMEM97SIGMAR1PKMCYP3A4
SCHEMBL9809664 0.82 MAPT (0.54) OPRM1TMEM97SIGMAR1PKMCYP3A4
SCHEMBL9809657 0.82 OPRM1 (0.61) OPRM1TMEM97SIGMAR1PKMCYP3A4
SCHEMBL9809676 0.82 OPRM1 (0.58) OPRM1TMEM97SIGMAR1PKMCYP3A4
SCHEMBL9809635 0.82 GAA (0.53) OPRM1TMEM97SIGMAR1CYP3A4OPRK1
SCHEMBL9809660 0.80 OPRM1 (0.54) OPRM1TMEM97SIGMAR1PKMCYP3A4
SCHEMBL9809729 0.80 ALDH1A1 (0.61) OPRM1TMEM97SIGMAR1PKMCYP3A4
SCHEMBL7171733 0.74 KCNH2 (0.74) OPRM1TMEM97SIGMAR1CYP3A4OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298134-B1 AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-11-11 EP disclosed
US-4965266-A Antiallergens DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-10-23 US disclosed
EP-0298134-A1 AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1989-01-11 EP disclosed