SCHEMBL12167494

SCHEMBL12167494

NCc1ccc(C(F)F)nc1N1CCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ MAPT P10636 5/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TRPV1 Q8NER1 2/20 0.33
▸ MAP2K7 O14733 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
SCHEMBL12167663 0.84 MAPT (0.42) MAPTMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL12167534 0.83 TRPV1 (0.47) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL14546905 0.77 KCNH2 (0.43) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL2553893 0.76 HPGD (0.42) SCN10AKDM4EMAPTMAPK1ALDH1A1
SCHEMBL12167529 0.76 TRPV1 (0.40) KDM4ETRPV1
SCHEMBL2553309 0.76 TRPV1 (0.47) SCN10ATRPV1
SCHEMBL15831847 0.74 CYP1A2 (0.41) SCN10AKDM4EMAPTMAPK1ALDH1A1
SCHEMBL14534297 0.74 KDM4E (0.36) KDM4EMAPTMAPK1ALDH1A1HPGD
SCHEMBL2555362 0.74 TRPV1 (0.47) TRPV1
SCHEMBL2529549 0.74 TRPV1 (0.43) MAPK1TRPV1HTT

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-2388258-A1 Novel vanilloid receptor ligands and their use for producing medicaments Grünenthal GmbH (DE) 2011-11-23 — — EP disclosed
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