SCHEMBL9976455

SCHEMBL9976455

Cc1ccc(NC(=O)c2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 1.00
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
KLKB1 P03952 1/20 0.61

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
SCHEMBL5409814 0.91 F10 (0.84) F10KLKB1
SCHEMBL5399426 0.91 F10 (1.00) F10KLKB1
SCHEMBL9928647 0.91 F10 (0.84) F10KLKB1
SCHEMBL5406397 0.91 F10 (0.83) F10KLKB1
SCHEMBL5403144 0.90 F10 (1.00) F10NPC1RAB9AKLKB1
Hydrochloric Acid SCHEMBL5441402 0.89 F10 (1.00) F10NPC1RAB9AKLKB1
SCHEMBL9976498 0.86 F10 (0.76) F10NPC1RAB9A
SCHEMBL9976456 0.83 F10 (0.72) F10NPC1RAB9A
SCHEMBL9976457 0.83 F10 (0.70) F10NPC1RAB9A
SCHEMBL9976503 0.82 F10 (0.70) F10NPC1RAB9A

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
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed