SCHEMBL11045957

SCHEMBL11045957

CCNC(=O)C1(c2ccccc2)CC1(C)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.49
OPRL1 P41146 5/20 0.49
SLC6A4 P31645 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ELOVL1 Q9BW60 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 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
SCHEMBL11048158 0.79 SLC6A4 (0.44) OPRM1OPRL1SLC6A4NPSR1POLB
SCHEMBL11048173 0.76 SLC6A4 (0.46) OPRM1OPRL1SLC6A4NPSR1POLB
SCHEMBL2722768 0.71 SMN1; SMN2 (0.59) OPRM1OPRL1NPSR1HTTSMN1; SMN2
SCHEMBL20060916 0.69 SMN1; SMN2 (0.65) OPRM1OPRL1NPSR1HTTMEN1
SCHEMBL14067363 0.68 SMN1; SMN2 (0.68) NPSR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL145634 0.68 SLC6A3 (0.66) OPRM1OPRL1SLC6A4CYP2D6
SCHEMBL14045178 0.68 OPRM1 (0.46) OPRM1OPRL1HTTKMT2ANPC1
SCHEMBL4349986 0.66 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL12694065 0.66 SLC6A4 (0.47) OPRM1OPRL1SLC6A4CYP2D6
SCHEMBL20242106 0.65 SLC6A4 (0.54) OPRM1SLC6A4NPSR1POLBHTT

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
US-4478836-A 1-Aryl 2-aminomethyl cyclopropane carboxyamide (Z) derivatives and their use as useful drugs in the treatment of disturbances of the central nervous system PIERRE FABRE S.A. (FR) 1984-10-23 US disclosed