SCHEMBL7828797

SCHEMBL7828797

CCS(=O)(=O)NC1CC2(CCCCC2)Oc2cccc(F)c21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.46
KMT2A Q03164 1/20 0.36
SCD O00767 1/20 0.33
PSIP1 O75475 1/20 0.33
CTSD P07339 3/20 0.33
BACE1 P56817 3/20 0.33
OPRL1 P41146 1/20 0.32

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
SCHEMBL6560802 0.80 TRPV1 (0.51) TRPV1CTSDBACE1
SCHEMBL6559512 0.78 TRPV1 (0.52) TRPV1
SCHEMBL11271692 0.67 KMT2A (0.49) TRPV1KMT2ACTSDBACE1
SCHEMBL6559509 0.66 TRPV1 (0.45) TRPV1KMT2A
SCHEMBL11243410 0.65 KMT2A (0.52) TRPV1KMT2ACTSDBACE1
SCHEMBL11249928 0.64 TRPV1 (0.44) TRPV1KMT2ACTSDBACE1OPRL1
SCHEMBL11244401 0.64 KMT2A (0.45) TRPV1KMT2ACTSDBACE1
SCHEMBL11259857 0.63 KMT2A (0.50) TRPV1KMT2ACTSDBACE1
SCHEMBL11242102 0.63 KMT2A (0.47) TRPV1KMT2ACTSDBACE1
SCHEMBL11246466 0.63 TRPV1 (0.54) TRPV1KMT2ACTSDBACE1

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-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed