SCHEMBL6554369

SCHEMBL6554369

CC(=O)OC/C=C\CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.56
LMNA P02545 3/20 0.56
CYP3A4 P08684 3/20 0.56
HIF1A Q16665 3/20 0.56
OPRM1 P35372 3/20 0.56
CYP2D6 P10635 3/20 0.56
OPRK1 P41145 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CHRM2 P08172 2/20 0.56
CHRM4 P08173 2/20 0.56
HTR1A P08908 2/20 0.56
CHRM5 P08912 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
CHRM1 P11229 2/20 0.56
DRD2 P14416 2/20 0.56
ADRA2B P18089 2/20 0.56
ADRA2C P18825 2/20 0.56
CHRM3 P20309 2/20 0.56

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
SCHEMBL14367171 0.85 OPRD1 (0.54) OPRD1LMNACYP3A4HIF1AOPRM1
SCHEMBL14367175 0.85 OPRD1 (0.54) OPRD1LMNACYP3A4HIF1AOPRM1
SCHEMBL1138082 0.82 NPC1 (0.60) OPRD1LMNACYP3A4HIF1AOPRM1
SCHEMBL1138084 0.82 NPC1 (0.60) OPRD1LMNACYP3A4HIF1AOPRM1
Hydrochloric Acid SCHEMBL1138342 0.81 HRH1 (0.58) OPRD1LMNACYP3A4HIF1AOPRM1
Hydrochloric Acid SCHEMBL1138343 0.81 HRH1 (0.58) OPRD1LMNACYP3A4HIF1AOPRM1
SCHEMBL14367172 0.80 OPRD1 (0.63) OPRD1LMNACYP3A4HIF1AOPRM1
SCHEMBL9091641 0.79 TDP1 (0.66) OPRD1LMNACYP2D6OPRK1CHRM2
SCHEMBL1137893 0.78 OPRD1 (0.68) OPRD1LMNACYP3A4HIF1AOPRM1
SCHEMBL1137896 0.78 OPRD1 (0.68) OPRD1LMNACYP3A4HIF1AOPRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487810-A2 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES Sun Pharmaceuticals Industries Ltd. (IN) 2004-12-22 EP claimed
WO-2003079970-A2 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-10-02 WO claimed
EP-1487810-A2 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES Sun Pharmaceuticals Industries Ltd. (IN) 2004-12-22 EP disclosed
WO-2003079970-A2 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-10-02 WO disclosed