SCHEMBL20008321

SCHEMBL20008321

C=CN/C=C(\C=C(/C)N1CCCCC1)c1cc(C)cnc1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL20008179 0.88 MAPT (0.31) MAPT
SCHEMBL20009447 0.77 MAPT (0.33) OPRK1USP2ALDH1A1LMNAALOX12
SCHEMBL20008522 0.76 MAPT (0.30) MAPT
SCHEMBL20009507 0.76 MAPT (0.33) USP2ALDH1A1LMNAALOX12PIK3C3
SCHEMBL20008487 0.74 NPC1 (0.36) USP2ALDH1A1LMNAALOX12MAPT
SCHEMBL20008573 0.72
SCHEMBL20008164 0.70 MAPT (0.32) MAPT
SCHEMBL20008604 0.70 USP2 (0.31) USP2ALDH1A1LMNAALOX12MAPT
SCHEMBL20009096 0.68
SCHEMBL20008405 0.67 OPRK1 (0.32) OPRK1PIK3C3

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed