SCHEMBL5848048

SCHEMBL5848048

OC1(c2cccc(C(F)(F)F)c2)CCN(CCCCN2CNC(Cl)=C2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.58
OPRM1 P35372 8/20 0.58
OPRD1 P41143 2/20 0.58
ABCB11 O95342 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
EBP Q15125 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
KDM4E B2RXH2 1/20 0.54
PMP22 Q01453 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
OPRK1 P41145 3/20 0.51
DRD4 P21917 3/20 0.48
DRD2 P14416 2/20 0.48

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
SCHEMBL5847140 0.76 OPRL1 (0.56) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL14117480 0.75 OPRL1 (0.74) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL5848902 0.74 OPRL1 (0.54) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL18029400 0.73 OPRL1 (0.70) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL7104650 0.73 OPRL1 (0.65) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL3136902 0.72 OPRL1 (0.86) OPRL1OPRM1OPRD1SMN1; SMN2OPRK1
SCHEMBL9053345 0.72 ABCB11 (0.85) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL11837987 0.72 ABCB11 (0.68) OPRL1OPRM1OPRD1ABCB11TP53
Hydrochloric Acid SCHEMBL4813917 0.72 OPRL1 (0.84) OPRL1OPRM1OPRD1KDM4EPMP22
SCHEMBL11792849 0.71 SIGMAR1 (0.67) OPRL1OPRM1OPRD1ABCB11TP53

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
US-RE39113-E1 Utilization of derivatives of tetrahydropyridines(or 4-hydroxypiperidines)-butylazols in the preparation of a medicament for the treatment of pain LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-05-30 US claimed
US-6384055-B1 ANALGESICS LABORATORIOS DEL DR. ESTEVES, S.A. (ES) 2002-05-07 US claimed