SCHEMBL3715359

SCHEMBL3715359

CC(c1ccccc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MBTD1 Q05BQ5 2/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GRIN2B Q13224 1/20 0.55
CYP2D6 P10635 1/20 0.54
CHRM2 P08172 2/20 0.53
CHRM1 P11229 2/20 0.53
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
OPRM1 P35372 2/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MC4R P32245 1/20 0.49
GFER P55789 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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 SCHEMBL3705095 0.99 KDM4E (0.54) L3MBTL3L3MBTL1MBTD1KDM4ECYP2C9
SCHEMBL3713534 0.91 CYP2D6 (0.47) L3MBTL3L3MBTL1MBTD1KDM4ECYP2C9
SCHEMBL13283841 0.91 CYP2D6 (0.47) L3MBTL3L3MBTL1MBTD1KDM4ECYP2C9
Hydrochloric Acid SCHEMBL3708004 0.90 CYP2D6 (0.46) L3MBTL3L3MBTL1MBTD1KDM4ECYP2C9
Hydrochloric Acid SCHEMBL3708906 0.90 CYP2D6 (0.46) L3MBTL3L3MBTL1MBTD1KDM4ECYP2C9
SCHEMBL13284111 0.88 L3MBTL3 (0.51) L3MBTL3L3MBTL1MBTD1KDM4ECYP2C9
SCHEMBL3712895 0.88 KDM4E (0.48) L3MBTL3L3MBTL1MBTD1KDM4ECYP2C9
Hydrochloric Acid SCHEMBL3707048 0.87 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1KDM4ECYP2C9
Hydrochloric Acid SCHEMBL3712234 0.87 KDM4E (0.47) L3MBTL3L3MBTL1MBTD1KDM4ECYP2C9
SCHEMBL3710987 0.86 MAPT (0.51) L3MBTL3L3MBTL1MBTD1KDM4ECYP2C9

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