SCHEMBL3708960

SCHEMBL3708960

Cc1cnccc1N1CCN(C2CCN(C(C)c3ccccc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.43
MBTD1 Q05BQ5 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CYP2D6 P10635 2/20 0.42
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42
TRPC5 Q9UL62 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MC4R P32245 1/20 0.39
DRD2 P14416 2/20 0.38
CCR5 P51681 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36

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 SCHEMBL3705516 0.99 OPRM1 (0.42) OPRM1OPRK1OPRL1L3MBTL3MBTD1
SCHEMBL3709196 0.86 OPRM1 (0.51) OPRM1OPRK1OPRL1L3MBTL3MBTD1
Hydrochloric Acid SCHEMBL3808136 0.84 OPRM1 (0.50) OPRM1OPRK1OPRL1L3MBTL3MBTD1
SCHEMBL3713534 0.82 CYP2D6 (0.47) OPRM1OPRK1OPRL1L3MBTL3MBTD1
Hydrochloric Acid SCHEMBL3708906 0.81 CYP2D6 (0.46) OPRM1OPRK1OPRL1L3MBTL3MBTD1
SCHEMBL3708933 0.81 CYP2D6 (0.53) OPRM1OPRK1OPRL1L3MBTL3MBTD1
Hydrochloric Acid SCHEMBL3703903 0.80 CYP2D6 (0.51) OPRM1OPRK1OPRL1L3MBTL3MBTD1
SCHEMBL13283844 0.79 CHRM2 (0.51) OPRM1OPRK1OPRL1L3MBTL3MBTD1
SCHEMBL3713043 0.78 CHRM2 (0.47) OPRM1OPRK1OPRL1L3MBTL3MBTD1
SCHEMBL3715359 0.78 L3MBTL3 (0.55) OPRM1OPRK1OPRL1L3MBTL3MBTD1

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