SCHEMBL5833576

SCHEMBL5833576

CC(C)N(C(=O)c1ccc(N(c2cc(F)ccc2C(N)=O)C2CCN(Cc3nccs3)CC2)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.46
OPRM1 P35372 8/20 0.46
OPRK1 P41145 7/20 0.40
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.36
USP2 O75604 1/20 0.36
SCN8A Q9UQD0 1/20 0.35
CCR3 P51677 1/20 0.35
NAMPT P43490 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL6600742 0.88 OPRD1 (0.49) OPRD1OPRM1OPRK1CYP3A4CYP2C9
SCHEMBL6600741 0.85 OPRD1 (0.44) OPRD1OPRM1OPRK1CYP3A4CYP2C9
SCHEMBL5833583 0.83 CYP3A4 (0.39) OPRD1OPRM1CYP3A4CYP2C9CYP1A2
SCHEMBL5630550 0.83 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL5879301 0.80 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL5833579 0.79 CSNK1D (0.41) CYP3A4CYP2C9CYP1A2CYP2C19TSHR
SCHEMBL5879377 0.79 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5879337 0.76 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5879375 0.75 OPRD1 (0.55) OPRD1OPRM1OPRK1
SCHEMBL5879329 0.74 OPRD1 (0.81) OPRD1OPRM1OPRK1

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