SCHEMBL7375430

SCHEMBL7375430

CCCCOC(=O)Oc1nccn1Cc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.45
OPRK1 P41145 2/20 0.45
AGTR2 P50052 5/20 0.43
AGTR1 P30556 1/20 0.43
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP26A1 O43174 1/20 0.39
CYP2C19 P33261 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL6800143 0.84 OPRD1 (0.43) OPRD1OPRK1AGTR2AGTR1ALDH1A1
SCHEMBL7366919 0.82 CYP19A1 (0.44) ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL2570512 0.76 OPRD1 (0.54) OPRD1OPRK1AGTR2AGTR1ALDH1A1
SCHEMBL17751291 0.75 CETP (0.52) ALDH1A1SMN1; SMN2ELANE
SCHEMBL6801299 0.70 RAB9A (0.49) SMN1; SMN2CYP2C9
SCHEMBL14258103 0.70 TSHR (0.47) ALDH1A1SMN1; SMN2
SCHEMBL27760547 0.70 CYP19A1 (0.51)
SCHEMBL6798543 0.69 OPRD1 (0.55) OPRD1OPRK1AGTR2AGTR1ALDH1A1
SCHEMBL16830452 0.69 MC4R (0.60) ALDH1A1
SCHEMBL15882750 0.68 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073638-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-02-07 EP disclosed
WO-1999054304-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-10-28 WO disclosed