SCHEMBL16472060

SCHEMBL16472060

C=CC(CC)C(=O)Nc1ccc(C2=C(C)CCN(c3nccs3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ PORCN Q9H237 1/20 0.35
▸ SLC6A7 Q99884 1/20 0.34
▸ MTOR P42345 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ PSEN1 P49768 3/20 0.33
▸ PSEN2 P49810 3/20 0.33
▸ APH1B Q8WW43 3/20 0.33
▸ NCSTN Q92542 3/20 0.33
▸ APH1A Q96BI3 3/20 0.33
▸ PSENEN Q9NZ42 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3823120 0.86 TRPV1 (0.41) TRPV1HTTHSD17B10TDP1CYP3A4
Hydrochloric Acid SCHEMBL3824636 0.85 TRPV1 (0.40) TRPV1HTTHSD17B10TDP1CYP3A4
SCHEMBL14093265 0.83 TRPV1 (0.43) TRPV1HTTHSD17B10CYP3A4PORCN
Hydrochloric Acid SCHEMBL3823968 0.82 TRPV1 (0.42) TRPV1HTTHSD17B10CYP3A4PORCN
SCHEMBL1781583 0.79 RAB9A (0.47) TRPV1HTTHSD17B10CYP3A4MEN1
SCHEMBL3826237 0.77 CYP3A4 (0.53) TRPV1HSD17B10TDP1CYP3A4ADORA2A
SCHEMBL987860 0.75 TRPV1 (0.45) TRPV1HTTHSD17B10MEN1KMT2A
SCHEMBL1781223 0.75 RAB9A (0.47) TRPV1HTTHSD17B10TDP1CYP3A4
SCHEMBL3828968 0.75 TRPV1 (0.45) TRPV1HTTHSD17B10CYP3A4
SCHEMBL3829813 0.75 TRPV1 (0.44) TRPV1HTTHSD17B10CYP3A4PORCN

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-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 — — EP disclosed
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