SCHEMBL19946392

SCHEMBL19946392

COc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.Cc1cccnc1C1(F)CCN(C(=NC#N)Nc2ccc(C(F)(F)F)cc2)CC1.Cc1cccnc1C1(F)CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 18/20 0.53
▸ TRPM8 Q7Z2W7 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
SCHEMBL19946391 1.00 TRPV1 (0.53) TRPV1TRPM8
SCHEMBL5469313 0.85 TRPV1 (0.55) TRPV1
SCHEMBL5469316 0.85 TRPV1 (0.55) TRPV1
SCHEMBL5400494 0.84 TRPV1 (0.74) TRPV1TRPM8
SCHEMBL5405805 0.80 TRPV1 (0.61) TRPV1
SCHEMBL2723773 0.80 TRPV1 (0.79) TRPV1
SCHEMBL19946461 0.78 TRPV1 (0.50) TRPV1
Trifluoroacetic Acid SCHEMBL5732367 0.77 TRPV1 (0.74) TRPV1
SCHEMBL30753826 0.74 TRPV1 (0.67) TRPV1
SCHEMBL2724826 0.74 TRPV1 (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635281-B1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIV HAWAII (US) 2018-03-14 — — EP claimed
EP-3348267-B1 TRPV1 INHIBITOR FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIV HAWAII (US) 2024-01-10 — — EP disclosed
EP-3348267-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY University Of Hawaii (US) 2018-07-18 — — EP disclosed
EP-2635281-B1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIV HAWAII (US) 2018-03-14 — — EP disclosed
Send feedback