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Sugi Predict / Compounds / SCHEMBL19946461

SCHEMBL19946461

SCHEMBL19946461

Cc1cccnc1C1(F)CCN(/C(=N/C#N)Nc2ccc(C(F)(F)F)cc2)CC1.Cc1cccnc1C1(F)CCN(/C(=N/C2CCN(c3ccccc3)CC2)Nc2ccc(C(F)(F)F)cc2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 17/20 0.50
▸ CCR5 P51681 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL19032343 0.95 TRPV1 (0.55) TRPV1CCR5
SCHEMBL19032342 0.95 TRPV1 (0.55) TRPV1CCR5
SCHEMBL2723343 0.88 TRPV1 (0.49) TRPV1
SCHEMBL2723340 0.88 TRPV1 (0.49) TRPV1
SCHEMBL5469313 0.82 TRPV1 (0.55) TRPV1
SCHEMBL5469316 0.82 TRPV1 (0.55) TRPV1
SCHEMBL19946392 0.78 TRPV1 (0.53) TRPV1
SCHEMBL19946391 0.78 TRPV1 (0.53) TRPV1
SCHEMBL2723773 0.78 TRPV1 (0.79) TRPV1
Trifluoroacetic Acid SCHEMBL5732367 0.76 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 1 patent. 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
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