SCHEMBL16749152

SCHEMBL16749152

C[C@H](C(C(=O)Nc1cc(CC2(C(=O)OC(C)(C)C)CC2)ccc1F)c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 6/20 0.37
CNR1 P21554 5/20 0.35
P2RX3 P56373 2/20 0.35
CNR2 P34972 3/20 0.33
AAK1 Q2M2I8 1/20 0.33
APP P05067 1/20 0.33
KLK7 P49862 1/20 0.33
HTRA1 Q92743 2/20 0.33

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
SCHEMBL10006447 1.00 FFAR2 (0.37) FFAR2CNR1P2RX3CNR2AAK1
SCHEMBL10006261 0.96 AAK1 (0.33) FFAR2CNR1P2RX3AAK1APP
SCHEMBL10006480 0.95 AAK1 (0.34) FFAR2CNR1AAK1
SCHEMBL11932122 0.93 AAK1 (0.33) AAK1
SCHEMBL10006603 0.93 AAK1 (0.33) AAK1
SCHEMBL9899687 0.93 TRPV1 (0.36) FFAR2CNR1HTRA1
SCHEMBL10006450 0.93 TRPV1 (0.36) FFAR2CNR1HTRA1
SCHEMBL10006232 0.92 TRPV1 (0.36) AAK1
SCHEMBL10006429 0.92 CYP1A2 (0.38) FFAR2CNR1CNR2HTRA1
SCHEMBL10006844 0.92 AAK1 (0.33) AAK1

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-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed