SCHEMBL9250795

SCHEMBL9250795

NC(=O)OCc1cccc(C2CCCN2Cc2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.47
OPRM1 P35372 8/20 0.47
OPRD1 P41143 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
AOC3 Q16853 2/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL8540467 0.81 KDM4E (0.52) OPRK1OPRM1OPRD1KDM4EALDH1A1
SCHEMBL8537772 0.80 ALDH1A1 (0.47) OPRK1OPRM1OPRD1KDM4EALDH1A1
SCHEMBL8538897 0.76 ALDH1A1 (0.66) OPRK1OPRM1KDM4EALDH1A1GAA
SCHEMBL8538305 0.76 OPRK1 (0.48) OPRK1OPRM1OPRD1KDM4EALDH1A1
SCHEMBL31029043 0.73 OPRK1 (0.53) OPRK1OPRM1OPRD1KDM4EALDH1A1
SCHEMBL31043597 0.73 OPRK1 (0.53) OPRK1OPRM1OPRD1KDM4EALDH1A1
Carbamic Acid SCHEMBL8540366 0.73 RECQL (0.46) OPRK1OPRM1OPRD1KDM4EALDH1A1
SCHEMBL8541194 0.72 DRD2 (0.59) OPRK1OPRM1OPRD1KDM4EALDH1A1
SCHEMBL8539779 0.71 KDM4E (0.60) OPRK1OPRM1OPRD1KDM4EALDH1A1
SCHEMBL29059534 0.70 PRKCI (0.57) AOC3

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
JP-7278103-A None JP disclosed
JP-H07278103-A (PYRROLIDINYL)PHENYL CARBAMATE AND INTERMEDIATE, PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL HOECHST ROUSSEL PHARMACEUT INC 1995-10-24 JP disclosed