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SCHEMBL8480649

SCHEMBL8480649

CCS(=O)(=O)C(NC1CC(C)(C)Oc2ccc(F)cc21)C(=O)NCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 17/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP3A4 P08684 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL8476363 0.93 TRPV1 (0.47) TRPV1KDM4EALDH1A1HPGDCYP3A4
Hydrochloric Acid SCHEMBL8481795 0.91 TRPV1 (0.46) TRPV1KDM4EALDH1A1HPGDCASP1
SCHEMBL8476611 0.83 TRPV1 (0.49) TRPV1ALDH1A1CYP3A4
SCHEMBL8477642 0.81 TRPV1 (0.42) TRPV1ALDH1A1CYP3A4
SCHEMBL8480422 0.81 TRPV1 (0.50) TRPV1CYP3A4
SCHEMBL8477265 0.81 TRPV1 (0.49) TRPV1CYP3A4
SCHEMBL8481963 0.80 TRPV1 (0.44) TRPV1CYP3A4
SCHEMBL8482576 0.79 TRPV1 (0.49) TRPV1CYP3A4
SCHEMBL8481888 0.78 TRPV1 (0.50) TRPV1CYP3A4
SCHEMBL8476544 0.78 TRPV1 (0.44) TRPV1CYP3A4

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-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 — — US disclosed