SCHEMBL5829642

SCHEMBL5829642

CC(C)N(C(=O)c1ccc(N(c2cc(C(N)=O)ccc2F)C2CCN(Cc3ccccn3)CC2)cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.47
OPRD1 P41143 8/20 0.47
OPRK1 P41145 6/20 0.47
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
SLC5A7 Q9GZV3 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DRD4 P21917 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL5879393 0.91 OPRD1 (0.59) OPRM1OPRD1OPRK1
SCHEMBL5632050 0.88 OPRD1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL5830266 0.87 OPRD1 (0.62) OPRM1OPRD1OPRK1
SCHEMBL5829870 0.87 OPRM1 (0.53) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL5828654 0.86 OPRD1 (0.51) OPRM1OPRD1OPRK1
SCHEMBL5829869 0.85 OPRM1 (0.47) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL5829658 0.85 OPRD1 (0.51) OPRM1OPRD1OPRK1
SCHEMBL5829602 0.83 OPRD1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL5829817 0.83 OPRD1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL5829647 0.82 PARP1 (0.42) OPRM1OPRD1OPRK1LMNAALDH1A1

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