SCHEMBL5019523

SCHEMBL5019523

C=NN(C)/C(=C\C)N[C@@H](C)c1cc2cccc(Cl)c2c(CCN2CCOCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 15/20 0.35
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CG P48736 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL15306521 0.77 AVPR1B (0.39) AVPR1BALDH1A1PIK3CDPIK3R2
SCHEMBL3696680 0.77 PIK3CD (0.48) PIK3CDPIK3R2PIK3CG
SCHEMBL15336733 0.77 PIK3R2 (0.38) AVPR1BALDH1A1PIK3CDPIK3R2PIK3CG
SCHEMBL3696676 0.77 PIK3CD (0.48) PIK3CDPIK3R2PIK3CG
SCHEMBL4535138 0.77 SIGMAR1 (0.41) AVPR1BPIK3CDPIK3R2PIK3CGSIGMAR1
SCHEMBL3695237 0.77 SIGMAR1 (0.41) AVPR1BPIK3CDPIK3R2PIK3CGSIGMAR1
SCHEMBL16412325 0.75 AVPR1B (0.39) AVPR1BALDH1A1PIK3CDPIK3R2PIK3CG
SCHEMBL4569391 0.73 PIK3CD (0.42) AVPR1BPIK3CDPIK3R2PIK3CG
SCHEMBL16269981 0.73 PIK3CD (0.38) AVPR1BALDH1A1LMNAPIK3CDPIK3R2
SCHEMBL4569341 0.71 PIK3CD (0.45) USP2ALDH1A1LMNAHTTPIK3CD

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-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed