SCHEMBL5830461

SCHEMBL5830461

CC(C)N(C(=O)c1ccc(N(c2cc(C(N)=O)ccc2F)C2CCCCN2Cc2ccco2)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.38
OPRD1 P41143 6/20 0.38
OPRK1 P41145 5/20 0.38
MAPT P10636 3/20 0.35
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 3/20 0.32
KMT2A Q03164 1/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 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
SCHEMBL6746450 0.88 OPRM1 (0.37) OPRM1OPRD1OPRK1MAPTPARP1
SCHEMBL5879398 0.76 OPRD1 (0.59) OPRM1OPRD1OPRK1
SCHEMBL5632123 0.74 OPRD1 (0.60) OPRM1OPRD1OPRK1
SCHEMBL5830266 0.72 OPRD1 (0.62) OPRM1OPRD1OPRK1
SCHEMBL5829609 0.72 OPRD1 (0.46) OPRM1OPRD1OPRK1PARP1
SCHEMBL5829610 0.72 OPRD1 (0.51) OPRM1OPRD1OPRK1PARP1
SCHEMBL5829932 0.72 OPRD1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL5829602 0.72 OPRD1 (0.46) OPRM1OPRD1OPRK1PARP1
SCHEMBL5829817 0.70 OPRD1 (0.46) OPRM1OPRD1OPRK1PARP1
SCHEMBL5828654 0.69 OPRD1 (0.51) OPRM1OPRD1OPRK1

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-7008952-B2 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-03-07 US claimed