SCHEMBL6554437

SCHEMBL6554437

[O]C/C=C\CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.57
DRD3 P35462 6/20 0.50
HRH1 P35367 6/20 0.50
LMNA P02545 5/20 0.50
CYP2D6 P10635 5/20 0.50
KCNH2 Q12809 5/20 0.50
HIF1A Q16665 4/20 0.50
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 4/20 0.50
CHRM2 P08172 4/20 0.50
ADRA2A P08913 4/20 0.50
ADRA1A P35348 4/20 0.50
DRD2 P14416 4/20 0.50
HTR2A P28223 4/20 0.50
HTR2B P41595 4/20 0.50
CYP3A4 P08684 3/20 0.50
OPRM1 P35372 3/20 0.50
HTR1A P08908 3/20 0.50
CHRM1 P11229 3/20 0.50

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
SCHEMBL1138175 0.95 DRD3 (0.59) SLC6A9DRD3HRH1LMNACYP2D6
SCHEMBL3139347 0.95 DRD3 (0.59) SLC6A9DRD3HRH1LMNACYP2D6
SCHEMBL1137906 0.85 SLC6A9 (0.57) SLC6A9DRD3HRH1LMNACYP2D6
SCHEMBL6554386 0.85 LMNA (0.65) DRD3HRH1LMNACYP2D6KCNH2
SCHEMBL1137901 0.85 SLC6A9 (0.57) SLC6A9DRD3HRH1LMNACYP2D6
SCHEMBL1138520 0.81 KCNH2 (0.59) SLC6A9DRD3HRH1LMNACYP2D6
SCHEMBL1137918 0.81 KCNH2 (0.59) SLC6A9DRD3HRH1LMNACYP2D6
SCHEMBL3155703 0.81 LMNA (0.70) DRD3HRH1LMNACYP2D6KCNH2
SCHEMBL1137922 0.81 KCNH2 (0.59) SLC6A9DRD3HRH1LMNACYP2D6
SCHEMBL1138522 0.81 KCNH2 (0.59) SLC6A9DRD3HRH1LMNACYP2D6

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
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