SCHEMBL4641843

SCHEMBL4641843

CC(C)(C)C1CCC2(CC1)CC(OC(=O)Nc1cccc3cnccc13)=NO2

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.45
EPHX2 P34913 1/20 0.40

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
SCHEMBL2208504 0.85 TRPV1 (0.46) TRPV1
SCHEMBL4641240 0.84 TRPV1 (0.36) TRPV1
SCHEMBL4619905 0.71 GPR119 (0.34) TRPV1EPHX2
SCHEMBL4619727 0.71 ATM (0.36)
SCHEMBL3246360 0.70 TRPV1 (0.63) TRPV1
SCHEMBL4028212 0.69 TRPV1 (0.65) TRPV1
SCHEMBL4620657 0.69 TRPV1 (0.40) TRPV1
SCHEMBL4024752 0.69 TRPV1 (0.60) TRPV1
SCHEMBL2205856 0.69 TRPV1 (0.43) TRPV1
SCHEMBL618043 0.68 TRPV1 (0.59) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO disclosed