SCHEMBL28429965

SCHEMBL28429965

CCCNCC(NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PTPRB P23467 1/20 0.42
▸ CTSK P43235 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC5 Q9UQL6 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
SCHEMBL10216743 0.85 FAAH (0.44) FAAHALDH1A1POLBKDM4EGAA
SCHEMBL20792320 0.84 FAAH (0.45) FAAHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL10216747 0.84 FAAH (0.44) FAAHPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL10217058 0.84 HDAC1 (0.46) FAAHPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL22321391 0.83 KCNQ3 (0.50) FAAHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL13168015 0.83 KCNQ3 (0.50) FAAHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL10216833 0.83 KCNQ3 (0.50) FAAHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL10217061 0.83 HDAC1 (0.45) FAAHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL10216752 0.83 PTPRB (0.45) FAAHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL10217045 0.83 FAAH (0.45) FAAHALDH1A1POLBGAACYP1A2

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
CN-111372928-B Benzimidazole derivatives as potassium channel inhibitors 阿塞西翁制药公司 2023-05-16 — — CN disclosed
CN-111372928-A Benzimidazole derivatives as potassium channel inhibitors 阿塞西翁制药公司 2020-07-03 — — CN disclosed
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