SCHEMBL7850751

SCHEMBL7850751

CC(C)(C)c1ccc2cc(NC(=O)c3coc([C@H](N)CCc4ccccc4F)n3)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.44
KDR P35968 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MITF O75030 1/20 0.35
XBP1 P17861 1/20 0.35
PAX8 Q06710 1/20 0.35
KLF5 Q13887 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
BACE1 P56817 1/20 0.35
ADCY6 O43306 1/20 0.35
ADCY3 O60266 1/20 0.35
ADCY9 O60503 1/20 0.35
ADCY5 O95622 1/20 0.35
ADCY8 P40145 1/20 0.35
GCGR P47871 1/20 0.35
ADCY7 P51828 1/20 0.35
ADCY2 Q08462 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
SCHEMBL7733560 0.91 TRPV1 (0.41) TRPV1NPC1RAB9ACNR1CNR2
SCHEMBL7732431 0.85 TRPV1 (0.41) TRPV1NPC1RAB9ACNR1CNR2
SCHEMBL7732373 0.81 TRPV1 (0.50) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL7732103 0.78 RAB9A (0.53) TRPV1KDRNPC1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL7735917 0.77 RAB9A (0.48) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL7735550 0.76 TRPV1 (0.52) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL7731720 0.76 TRPV1 (0.41) TRPV1NPC1RAB9AKDM4ECNR1
SCHEMBL7733996 0.75 NPC1 (0.50) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL7734004 0.74 RAB9A (0.42) KDRNPC1RAB9AKDM4EBACE1
SCHEMBL7734013 0.73 NPC1 (0.45) TRPV1KDRNPC1RAB9AKDM4E

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-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed