SCHEMBL2774874

SCHEMBL2774874

O=C(O)NCCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.64
MCHR1 Q99705 3/20 0.61
TAAR1 Q96RJ0 1/20 0.59
CYP2D6 P10635 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
ADAMTS5 Q9UNA0 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
PLAAT3 P53816 1/20 0.56
PLAAT5 Q96KN8 1/20 0.56
PLAAT2 Q9NWW9 1/20 0.56
PLAAT4 Q9UL19 1/20 0.56
NPC1 O15118 2/20 0.55
GAA P10253 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GFER P55789 1/20 0.55
CHRM1 P11229 1/20 0.55

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
SCHEMBL4582082 0.94 TAAR1 (0.65) CNR1TAAR1CYP2D6CYP1A2CYP2C19
SCHEMBL1728418 0.85 CNR1 (0.59) CNR1ADAMTS5LMNAPLAAT5PLAAT4
SCHEMBL2773493 0.85 EPHX2 (0.70) CNR1TAAR1CYP2D6CYP1A2CYP2C19
SCHEMBL16936556 0.84 CNR1 (0.60) CNR1TAAR1CYP2D6CYP1A2CYP2C19
SCHEMBL2771801 0.83 MCHR1 (0.49) CNR1MCHR1TAAR1ADAMTS5MAPT
SCHEMBL23111915 0.82 MCHR1 (0.50) CNR1MCHR1TAAR1CYP1A2CYP2C19
SCHEMBL6223646 0.81 MCHR1 (0.77) CNR1MCHR1CYP2D6CYP1A2CYP2C19
SCHEMBL8163393 0.81 MCHR1 (0.77) CNR1MCHR1CYP2D6CYP1A2CYP2C19
SCHEMBL23828908 0.81 ROCK2 (0.62) MAPTNPC1RAB9ASMN1; SMN2PSEN1
SCHEMBL6708022 0.79 L3MBTL1 (0.49) CNR1TAAR1CYP2D6CYP1A2CYP2C19

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
EP-1590321-B1 ARYL ALKYL CARBAMATE DERIVATIVES PRODUCTION AND USE THEREOF IN THERAPY SANOFI AVENTIS (FR) 2010-04-28 EP disclosed