SCHEMBL3155703

SCHEMBL3155703

[O]C/C=C/CN1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
HIF1A Q16665 4/20 0.70
CYP2D6 P10635 3/20 0.70
OPRM1 P35372 3/20 0.70
CYP3A4 P08684 3/20 0.70
MAPT P10636 2/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C9 P11712 2/20 0.70
MAPK1 P28482 2/20 0.70
CHRM2 P08172 2/20 0.70
CHRM4 P08173 2/20 0.70
HTR1A P08908 2/20 0.70
CHRM5 P08912 2/20 0.70
ADRA2A P08913 2/20 0.70
ADORA3 P0DMS8 2/20 0.70
CHRM1 P11229 2/20 0.70
DRD2 P14416 2/20 0.70
ADRA2B P18089 2/20 0.70

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
SCHEMBL6554386 0.95 LMNA (0.65) LMNAMEN1KMT2AHIF1ACYP2D6
SCHEMBL1138175 0.87 DRD3 (0.59) LMNAMEN1KMT2AHIF1ACYP2D6
SCHEMBL1138128 0.87 LMNA (0.70) LMNAMEN1KMT2AHIF1ACYP2D6
SCHEMBL3139347 0.87 DRD3 (0.59) LMNAMEN1KMT2AHIF1ACYP2D6
SCHEMBL1138126 0.87 LMNA (0.70) LMNAMEN1KMT2AHIF1ACYP2D6
SCHEMBL27673539 0.85 LMNA (0.72) LMNAMEN1KMT2AHIF1ACYP2D6
SCHEMBL2615158 0.84 LMNA (0.97) LMNAMEN1KMT2AHIF1ACYP2D6
SCHEMBL2615163 0.84 LMNA (0.97) LMNAMEN1KMT2AHIF1ACYP2D6
SCHEMBL13285188 0.84 LMNA (0.92) LMNAMEN1KMT2AHIF1ACYP2D6
Flunarizine SCHEMBL10993579 0.84 LMNA (0.97) LMNAMEN1KMT2AHIF1ACYP2D6

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
EP-1487810-B1 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMA ADVANCED RES CO LTD (IN) 2010-02-17 EP disclosed