SCHEMBL7350119

SCHEMBL7350119

CCOC(=O)C1(NCCC=O)Cc2cccc3c2N(CCC3)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CES1 P23141 2/20 0.32
ALDH1A1 P00352 3/20 0.32
USP2 O75604 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7342774 0.86 OPRM1 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7350112 0.82 OPRM1 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7344972 0.72 CES1 (0.38) KMT2ACES1ALDH1A1USP2KDM4E
SCHEMBL3137980 0.67 HPGD (0.35) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3135456 0.66 OPRM1 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10848036 0.65 BRD4 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10425457 0.61 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL30114968 0.60 BRD4 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL261057 0.60 BRD4 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7350858 0.59 BRD4 (0.50) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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
WO-1990015058-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed