SCHEMBL3714873

SCHEMBL3714873

COc1ccc(C(C)N2CCC(N3CCN(c4ccccc4C)CC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.54
CHRM1 P11229 3/20 0.54
CHRM4 P08173 1/20 0.54
CHRM3 P20309 1/20 0.54
OPRM1 P35372 2/20 0.50
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 1/20 0.48
RECQL P46063 1/20 0.48
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
HTR1A P08908 1/20 0.43
SLC18A3 Q16572 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 1/20 0.41

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 SCHEMBL3708326 0.99 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3OPRM1
SCHEMBL13283844 0.88 CHRM2 (0.51) CHRM2CHRM1CHRM4CHRM3OPRM1
SCHEMBL3709196 0.88 OPRM1 (0.51) CHRM2CHRM1OPRM1MEN1KMT2A
Hydrochloric Acid SCHEMBL3808136 0.87 OPRM1 (0.50) CHRM2CHRM1OPRM1MEN1KMT2A
SCHEMBL3713043 0.87 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3OPRM1
SCHEMBL3703344 0.86 CHRM2 (0.51) CHRM2CHRM1OPRM1MEN1KMT2A
Hydrochloric Acid SCHEMBL3705321 0.86 CHRM2 (0.46) CHRM2CHRM1CHRM4CHRM3OPRM1
Hydrochloric Acid SCHEMBL3708307 0.85 CHRM2 (0.50) CHRM2CHRM1OPRM1MEN1KMT2A
SCHEMBL3708933 0.83 CYP2D6 (0.53) CHRM2CHRM1CHRM4CHRM3OPRM1
Hydrochloric Acid SCHEMBL3705110 0.82 SLC18A3 (0.41) CHRM2CHRM1CHRM4CHRM3OPRM1

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