SCHEMBL2724809

SCHEMBL2724809

CCCCc1ccc(NC(=O)N2CCC(F)(c3ncccc3C)CC2)cc1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(Cc3ccccc3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 18/20 0.55

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
SCHEMBL17310439 0.91 TRPV1 (0.47) TRPV1
SCHEMBL17310441 0.83 TRPV1 (0.40) TRPV1
SCHEMBL2723775 0.83 TRPV1 (0.55) TRPV1
SCHEMBL31679062 0.81 TRPV1 (0.56) TRPV1
SCHEMBL5469284 0.81 TRPV1 (0.80) TRPV1
SCHEMBL2726587 0.81 TRPV1 (0.56) TRPV1
SCHEMBL31679069 0.79 TRPV1 (0.59) TRPV1
SCHEMBL2725244 0.79 TRPV1 (0.59) TRPV1
SCHEMBL2723773 0.78 TRPV1 (0.79) TRPV1
Trifluoroacetic Acid SCHEMBL5732367 0.77 TRPV1 (0.74) 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 3 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-2635281-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY University Of Hawaii (US) 2013-09-11 — — EP disclosed
WO-2012061505-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII (US) 2012-05-10 — — WO disclosed
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