SCHEMBL3703302

SCHEMBL3703302

CC(c1ccc(F)cc1)N1CCC(N2CCN(c3ccc(F)cc3C(F)(F)F)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
HSD11B1 P28845 9/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
WDR5 P61964 2/20 0.39
OGA O60502 1/20 0.38
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38

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
Hydrochloric Acid SCHEMBL3707110 0.99 OPRM1 (0.41) OPRM1HSD11B1MBTD1L3MBTL3WDR5
SCHEMBL3707934 0.85 OPRM1 (0.43) OPRM1MBTD1L3MBTL3CHRM2CHRM1
Hydrochloric Acid SCHEMBL3705762 0.84 OPRM1 (0.43) OPRM1MBTD1L3MBTL3CHRM2CHRM1
SCHEMBL3806873 0.80 OPRM1 (0.53) OPRM1MBTD1L3MBTL3CHRM2CHRM1
SCHEMBL3717001 0.80 OPRM1 (0.48) OPRM1MBTD1L3MBTL3CHRM2CHRM1
Hydrochloric Acid SCHEMBL3707961 0.79 OPRM1 (0.52) OPRM1MBTD1L3MBTL3OGACHRM2
Hydrochloric Acid SCHEMBL3706763 0.78 OPRM1 (0.47) OPRM1MBTD1L3MBTL3CHRM2CHRM1
SCHEMBL17660594 0.76 KDM2B (0.43)
SCHEMBL3703305 0.76 MAPT (0.49) MBTD1L3MBTL3
Hydrochloric Acid SCHEMBL3712977 0.75 MAPT (0.48) MBTD1L3MBTL3

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
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO disclosed