SCHEMBL7616455

SCHEMBL7616455

C=CCN1C[C@H](C)N([C@H](c2cccnc2)c2cccc(OS(=O)(=O)C(F)(F)F)c2)C[C@H]1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.56
OPRM1 P35372 4/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
LMNA P02545 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
OPRK1 P41145 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL12016522 0.85 OPRD1 (0.70) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL4576626 0.82 CYP3A4 (0.70) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL12017980 0.81 CYP3A4 (0.79) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL4577073 0.81 CYP3A4 (0.79) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL7623262 0.81 MGLL (0.35) OPRD1CYP3A4CYP2D6NFKB1
SCHEMBL7616416 0.80 OPRD1 (0.63) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL6933062 0.80 OPRD1 (0.63) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL8530182 0.80 OPRD1 (0.63) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL6933683 0.80 OPRD1 (0.63) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL6933065 0.80 OPRD1 (0.63) OPRD1OPRM1CYP3A4CYP1A2OPRK1

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-20020052007-A1 Diarylmethylbenzylpiperazines and corresponding halobenzyl derivatives ENTA HOLDING LLC 2002-05-02 US disclosed