SCHEMBL13754071

SCHEMBL13754071

CCNC(=O)c1ccc(OC(F)(F)C(F)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.50
▸ EPHX2 P34913 3/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ PPARG P37231 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ HDAC4 P56524 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11760366 0.85 NPC1 (0.55) TRPV1MCHR1ALDH1A1TSHRHSD17B10
SCHEMBL13753069 0.82 EPHX2 (0.63) TRPV1EPHX2NR1H4PPARGPPARA
SCHEMBL11448795 0.79 ALDH1A1 (0.51) TRPV1HTTALDH1A1TSHRHSD17B10
SCHEMBL10294117 0.77 EPHX2 (0.50) EPHX2NR1H4PPARGPPARAALDH1A1
SCHEMBL10740417 0.77 ALDH1A1 (0.53) TRPV1EPHX2HTTPPARGPPARA
SCHEMBL13754120 0.76 TP53 (0.51) HTTMCHR1ALDH1A1TSHRLMNA
SCHEMBL24190676 0.76 HTT (0.72) EPHX2HTTHDAC4HDAC6ALDH1A1
SCHEMBL11757405 0.74 NPC1 (0.59) TRPV1MCHR1ALDH1A1TSHRHSD17B10
SCHEMBL9687321 0.74 LMNA (0.54) TRPV1EPHX2HTTALDH1A1LMNA
SCHEMBL10664357 0.73 TRPV1 (0.61) TRPV1HTTALDH1A1TSHRHSD17B10

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-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
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