SCHEMBL14610018

SCHEMBL14610018

NCCCN(Cc1ccc(Br)cc1)C(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 8/20 0.59
▸ LPAR1 Q92633 1/20 0.48
▸ LIMK2 P53671 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ SGMS2 Q8NHU3 2/20 0.42

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
SCHEMBL14610082 0.93 TRPM8 (0.67) TRPM8LPAR1NPC1HTTPARP1
SCHEMBL14610001 0.93 TRPM8 (0.65) TRPM8LPAR1LIMK2NPC1HTT
SCHEMBL14610217 0.90 TRPM8 (0.60) TRPM8LPAR1LIMK2NPC1KDM4E
SCHEMBL14610257 0.90 TRPM8 (0.64) TRPM8LPAR1LIMK2NPC1HTT
SCHEMBL14610589 0.89 TRPM8 (0.59) TRPM8LPAR1LIMK2NPC1HTT
Hydrochloric Acid SCHEMBL5372786 0.88 TRPM8 (0.58) TRPM8LPAR1LIMK2KDM4E
SCHEMBL14610072 0.88 TRPM8 (0.56) TRPM8LPAR1NPC1HTTPARP1
SCHEMBL14610620 0.87 TRPM8 (0.59) TRPM8LPAR1NPC1KDM4E
SCHEMBL14609975 0.87 TRPM8 (0.56) TRPM8LPAR1NPC1HTT
Hydrochloric Acid SCHEMBL5298861 0.87 TRPM8 (0.56) TRPM8LPAR1NPC1PARP1KDM4E

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-2007017093-A1 SUBSTITUTED 2-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 — — WO disclosed
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