SCHEMBL14108441

SCHEMBL14108441

Cc1cc(Nc2ccc3cccnc3c2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.61
▸ ABCB1 P08183 2/20 0.50
▸ ABCC1 P33527 2/20 0.50
▸ ABCG2 Q9UNQ0 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ CD274 Q9NZQ7 1/20 0.47
▸ DOT1L Q8TEK3 1/20 0.46
▸ P2RY14 Q15391 2/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ERBB2 P04626 1/20 0.41

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
SCHEMBL1012912 0.83 TRPV1 (0.58) TRPV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL1013567 0.83 TRPV1 (0.58) TRPV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL13868105 0.74 TRPV1 (1.00) TRPV1
SCHEMBL21101485 0.73 ALDH1A1 (0.58) TRPV1ABCB1ABCC1ABCG2ALDH1A1
SCHEMBL1011814 0.73 TRPV1 (0.48) TRPV1ALDH1A1CD274MEN1KMT2A
SCHEMBL3072828 0.73 ALDH1A1 (0.58) TRPV1ALDH1A1P2RY14NOTUMMEN1
SCHEMBL29697303 0.73 ALDH1A1 (0.58) TRPV1ALDH1A1P2RY14NOTUMMEN1
SCHEMBL1015927 0.72 TRPV1 (0.55) TRPV1ALDH1A1
SCHEMBL1013062 0.71 TRPV1 (0.54) TRPV1CYP1A2
SCHEMBL24703329 0.71 TRPV1 (0.67) TRPV1ABCG2ALDH1A1P2RY14NOTUM

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-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 — — US disclosed
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