SCHEMBL3904458

SCHEMBL3904458

Cc1cccc(C(CN)c2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 6/20 0.47
CHRM2 P08172 5/20 0.47
SCN1A P35498 3/20 0.47
SCN2A Q99250 3/20 0.47
SCN3A Q9NY46 3/20 0.47
SLC6A3 Q01959 5/20 0.46
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 3/20 0.41
HTR2A P28223 4/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM1 P11229 4/20 0.39
HRH1 P35367 4/20 0.39
KCNH2 Q12809 4/20 0.39

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
SCHEMBL25219221 0.85 SLC6A2 (0.47) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL27511961 0.84 SLC6A2 (0.59) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL1422822 0.84 SLC6A2 (0.59) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL2066147 0.84 SLC6A2 (0.59) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL31214343 0.82 SLC6A2 (0.44) SLC6A2SLC6A4CHRM2SCN1ASCN2A
Hydrochloric Acid SCHEMBL7927468 0.82 SLC6A2 (0.57) SLC6A2SLC6A4CHRM2SCN1ASCN2A
Hydrochloric Acid SCHEMBL16702791 0.82 SLC6A2 (0.57) SLC6A2SLC6A4CHRM2SCN1ASCN2A
Hydrochloric Acid SCHEMBL7864529 0.82 SLC6A2 (0.57) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL6996545 0.82 SLC6A2 (0.43) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL7001280 0.82 SLC6A2 (0.43) SLC6A2SLC6A4CHRM2SCN1ASCN2A

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