SCHEMBL20141643

SCHEMBL20141643

Cc1cc(C)c(-c2nnc3n2CCN(c2ncccc2Cl)C3)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.43
TACR3 P29371 2/20 0.41
MALT1 Q9UDY8 1/20 0.41
TRPV1 Q8NER1 2/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL20140384 0.90 MALT1 (0.41) P2RX7TACR3MALT1TRPV1
SCHEMBL20157175 0.82 P2RX7 (0.40) P2RX7TACR3MALT1TRPV1
SCHEMBL20141394 0.76 MTOR (0.42) P2RX7TRPV1
SCHEMBL20140571 0.75 DRD4 (0.39) P2RX7TACR3
SCHEMBL109151 0.65 P2RX7 (0.72) P2RX7
SCHEMBL5693374 0.64 TRPA1 (0.64) MALT1TRPV1
SCHEMBL13930766 0.63 TRPA1 (0.62) TRPV1
SCHEMBL9930808 0.63 P2RX7 (0.72) P2RX7
SCHEMBL20141800 0.63 MTOR (0.64) MALT1TRPV1HSD11B1
Hydrochloric Acid SCHEMBL20139297 0.62 MTOR (0.63) MALT1TRPV1HSD11B1

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed