SCHEMBL881650

SCHEMBL881650

NC1(c2ccc(Cl)nc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.40
AKT2 P31751 1/20 0.40
ALOX5AP P20292 1/20 0.39
PIK3CD O00329 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
SCHEMBL12072271 0.92 PIK3CD (0.39) ALOX5APPIK3CD
SCHEMBL881851 0.84 AKR1C3 (0.35) ALOX5APPIK3CD
SCHEMBL31158358 0.84 DRD2 (0.40) AKT1AKT2PIK3CD
SCHEMBL23647450 0.84 DRD2 (0.40) AKT1AKT2PIK3CD
SCHEMBL21848271 0.77 DRD2 (0.39) ALOX5AP
SCHEMBL23647443 0.76 NAPRT (0.39) AKT2
SCHEMBL30702522 0.74 CCR3 (0.50)
SCHEMBL16441380 0.74 LMNA (0.43) ALOX5AP
SCHEMBL1959786 0.73 TRPA1 (0.41)
SCHEMBL3567997 0.73 AKT1 (0.38) AKT1AKT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021074279-A1 SPIRO-FUSED TRICYCLIC MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 WO disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
WO-2012040139-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 WO disclosed