SCHEMBL11522209

SCHEMBL11522209

[Li]C1CCCc2ccc(C(C)(C)C)nc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 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
SCHEMBL22402386 0.78 TRPV1 (0.35) TRPV1
SCHEMBL22693081 0.78 TRPV1 (0.33) TRPV1
SCHEMBL11520415 0.78 CXCR4 (0.32)
SCHEMBL11011905 0.75 TRPV1 (0.31) TRPV1
SCHEMBL11520274 0.74 CXCR4 (0.30)
SCHEMBL11522467 0.73 TRPV1 (0.36) TRPV1
SCHEMBL11011908 0.72 TRPV1 (0.34) TRPV1
SCHEMBL25031271 0.71
SCHEMBL22693080 0.71 TRPV1 (0.32) TRPV1
SCHEMBL11519752 0.70 RAB9A (0.37)

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
US-4160094-A Tetrahydroquinoline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-07-03 US claimed
US-4160094-A Tetrahydroquinoline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-07-03 US disclosed