SCHEMBL16712258

SCHEMBL16712258

O=C(O)Oc1ccc(N2CCCCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CNR2 P34972 3/20 0.46
▸ UBE2T Q9NPD8 1/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ AOC3 Q16853 2/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL27526717 0.88 TRPV1 (0.47) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL29177274 0.86 UBE2T (0.51) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL28284732 0.84 UBE2T (0.53) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL29177328 0.81 UBE2T (0.49) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL28794004 0.79 TRPV1 (0.49) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL186136 0.79 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHPGDPOLB
SCHEMBL15152104 0.77 HRH4 (0.46) ALDH1A1MAPTALOX12HPGDPOLB
SCHEMBL184999 0.77 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHPGDPOLB
SCHEMBL27837554 0.77 UBE2T (0.50) ALDH1A1MAPTLMNAALOX12NPSR1
Hydrochloric Acid SCHEMBL27676374 0.77 KMT2A (0.49) MAPTLMNAUBE2TPOLBKDM4E

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-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 — — EP claimed
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