SCHEMBL7997248

SCHEMBL7997248

O=C1c2cc(Cl)ccc2OCCC1Br

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
MAOB P27338 4/20 0.49
MAP3K14 Q99558 2/20 0.43
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ADRA2A P08913 1/20 0.37
CTSL P07711 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NOTUM Q6P988 1/20 0.35

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
SCHEMBL989276 0.83 CYP19A1 (0.51) CYP19A1PIK3CAPIK3CBPIK3CGADRA2A
SCHEMBL1484854 0.81 FABP6 (0.51) CYP19A1MAOBNOTUM
SCHEMBL2659588 0.78 CYP19A1 (0.50) CYP19A1MAOBMAP3K14NPC1RAB9A
SCHEMBL989344 0.77 CYP19A1 (0.47) CYP19A1MAOB
SCHEMBL6204548 0.77 NPC1 (0.47) NPC1RAB9APIK3CAPIK3CBPIK3CG
SCHEMBL6208319 0.76 CYP1A2 (0.56) NPC1RAB9ANPSR1
SCHEMBL989401 0.74 LMNA (0.43) CYP19A1MAOBADRA2A
SCHEMBL4879254 0.74 NPC1 (0.45) CYP19A1MAOBMAP3K14NPC1RAB9A
SCHEMBL31152479 0.72 F7 (0.47) NOTUM
SCHEMBL9179784 0.72 F7 (0.47) NOTUM

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-2001064675-A1 CONDENSED THIAZOLAMINES AND THEIR USE AS NEUROPEPTIDE Y5 ANTAGONISTS NOVARTIS AG (CH) 2001-09-07 WO disclosed