SCHEMBL17066302

SCHEMBL17066302

CC(C)(C)OC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.62
▸ TNF P01375 2/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ NOD1 Q9Y239 1/20 0.54
▸ PRKAA2 P54646 1/20 0.54
▸ RAB9A P51151 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ FAAH O00519 1/20 0.53
▸ HIF1A Q16665 4/20 0.53
▸ EPAS1 Q99814 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ TNIK Q9UKE5 1/20 0.51
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 2/20 0.49

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
SCHEMBL18083722 0.88 HIF1A (0.69) PRKAA2RAB9AMAPTKDM4EALDH1A1
SCHEMBL1433245 0.88 POLB (0.58) ALDH1A1FAAHKMT2AHTTLMNA
SCHEMBL24670268 0.84 KMT2A (0.64) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL2451687 0.84 KMT2A (0.64) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL29101948 0.83 POLB (0.53) ALDH1A1FAAHTNIKKMT2AHTT
SCHEMBL17054969 0.83 NPC1 (0.72) NPC1TNFNOD2NOD1PRKAA2
SCHEMBL377536 0.81 VEGFA (0.53) NPC1RAB9AMAPTALDH1A1FAAH
SCHEMBL13594993 0.80 LCK (0.52) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL18083682 0.80 HIF1A (0.58) PRKAA2MAPTKDM4EALDH1A1FAAH
SCHEMBL18083773 0.80 MAPT (0.65) NPC1RAB9AMAPTKDM4EFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9125904-B1 Biphenyl imidazoles and related compounds useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed
US-9125904-B1 Biphenyl imidazoles and related compounds useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed
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