SCHEMBL3904396

SCHEMBL3904396

Cc1cccc(C(C=O)c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
ACP3 P15309 1/20 0.39
CHRM2 P08172 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 3/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB11 O95342 1/20 0.35

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
SCHEMBL1515754 0.82 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL9729373 0.80 ACHE (0.46) ALDH1A1ACP3TSHRNPC1
SCHEMBL1515743 0.79 ACP3 (0.50) ACP3LMNATSHRSMN1; SMN2OPRK1
SCHEMBL6499586 0.77 PSEN1 (0.44) ALDH1A1ACP3
SCHEMBL23619200 0.76 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL6510105 0.76 MAPKAPK2 (0.44) SLC6A2SLC6A4SLC6A3ACP3RAB9A
SCHEMBL31143613 0.76 BRD4 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL23610032 0.76 BRD4 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL9003879 0.76 BRD4 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL31143703 0.76 BRD4 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2

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
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed