SCHEMBL9726401

SCHEMBL9726401

CCn1nnc(C(/C=C/C=O)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.35
TP53 P04637 2/20 0.35
PKM P14618 1/20 0.34
HMGCR P04035 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL9726405 1.00 TRPM8 (0.39) TRPM8RAB9ASMN1; SMN2NPC1TP53
SCHEMBL9726403 0.88 TRPM8 (0.42) TRPM8RAB9ASMN1; SMN2NPC1TP53
SCHEMBL9726666 0.85 HMGCR (0.36) RAB9ASMN1; SMN2NPC1TP53HMGCR
SCHEMBL9726659 0.85 HMGCR (0.36) RAB9ASMN1; SMN2NPC1TP53HMGCR
SCHEMBL9726747 0.83 HMGCR (0.36) HMGCR
SCHEMBL9726752 0.83 HMGCR (0.36) HMGCR
SCHEMBL9726501 0.81 HMGCR (0.32) HMGCR
SCHEMBL9726494 0.81 HMGCR (0.32) HMGCR
SCHEMBL10611975 0.76 HMGCR (0.54) HMGCR
SCHEMBL9726771 0.76 HMGCR (0.45) RAB9ANPC1PKMHMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed