SCHEMBL17530360

SCHEMBL17530360

COc1ccc(F)c(C2CCN(C(=O)NC(CC(C)(C)F)C(N)=O)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.46
PRKG1 Q13976 2/20 0.46
FFAR1 O14842 9/20 0.41
MC4R P32245 2/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
RBP4 P02753 2/20 0.40
SLC9A1 P19634 1/20 0.40
GAA P10253 1/20 0.38
PARP10 Q53GL7 1/20 0.37
MAPK7 Q13164 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL17530393 0.86 CTSL (0.46) ROCK2PRKG1FFAR1MC4RMC5R
SCHEMBL17530361 0.83 CTSB (0.55)
SCHEMBL17530209 0.78 CCR1 (0.47) PARP10
SCHEMBL17530362 0.78 NPC1 (0.46) GAA
SCHEMBL17529977 0.75 CTSS (0.52) ROCK2PRKG1
SCHEMBL17530396 0.74 CTSL (0.48)
SCHEMBL17530391 0.71 CTSB (0.54)
SCHEMBL17530211 0.69 ROCK2 (0.56) ROCK2PRKG1GAA
SCHEMBL8098541 0.67 FFAR1 (0.46) FFAR1
SCHEMBL17530183 0.66 CTSS (0.47) MTNR1B

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-2016027284-A2 PIPERIDINE UREAS AS CATHEPSIN CYSTEINE PROTEASE INHIBITORS ALKEM LABORATORIES LTD. (IN) 2016-02-25 WO disclosed