SCHEMBL7106832

SCHEMBL7106832

N#Cc1ccccc1C1CCC(NCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A4 P31645 1/20 0.48
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
BCHE P06276 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AR P10275 1/20 0.43
OPRL1 P41146 1/20 0.43
FYN P06241 1/20 0.42
PRKCQ Q04759 1/20 0.42

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
SCHEMBL7994302 0.82 OPRL1 (0.44) RAB9AKMT2AKDM4EOPRL1
SCHEMBL7031617 0.81 GRIN2B (0.53) GRIN2BMEN1RAB9AKMT2AACHE
SCHEMBL7932450 0.80 OPRL1 (0.48) SLC6A4KDM4EOPRL1
SCHEMBL3167985 0.79 ADRA1A (0.49) RAB9AKMT2AKDM4ETSHROPRL1
SCHEMBL29580963 0.79 ADRA1A (0.49) RAB9AKMT2AKDM4ETSHROPRL1
Hydrochloric Acid SCHEMBL7936704 0.79 OPRL1 (0.47) SLC6A4KDM4EOPRL1
Hydrochloric Acid SCHEMBL7934160 0.79 OPRL1 (0.47) SLC6A4KDM4EOPRL1
Hydrochloric Acid SCHEMBL7934158 0.79 OPRL1 (0.47) SLC6A4KDM4EOPRL1
SCHEMBL19192071 0.79 GRIN2B (0.57) GRIN2BMEN1RAB9AKMT2AACHE
SCHEMBL8003101 0.78 DRD4 (0.42) RAB9AKDM4EOPRL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341753-A1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-09-10 EP disclosed
WO-2002044139-A1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed