SCHEMBL3908448

SCHEMBL3908448

NCCc1ccccc1-c1ccccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.73
TAAR1 Q96RJ0 8/20 0.72
MAOB P27338 3/20 0.58
PNMT P11086 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
HTR2A P28223 2/20 0.45
ADRA2C P18825 1/20 0.45

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
SCHEMBL6862516 0.84 DPP4 (1.00) DPP4TAAR1MAOBPNMTCYP1A2
SCHEMBL266281 0.84 TAAR1 (1.00) DPP4TAAR1MAOBPNMTCYP1A2
SCHEMBL29351771 0.84 TAAR1 (1.00) DPP4TAAR1MAOBPNMTCYP1A2
Ammonia Solution, Strong SCHEMBL7423333 0.82 TAAR1 (0.95) DPP4TAAR1MAOBPNMTCYP1A2
Iodide SCHEMBL30914653 0.82 TAAR1 (0.95) DPP4TAAR1MAOBPNMTCYP1A2
Hydrochloric Acid SCHEMBL1847347 0.82 TAAR1 (0.95) DPP4TAAR1MAOBPNMTCYP1A2
SCHEMBL21848195 0.82 TAAR1 (0.95) DPP4TAAR1MAOBPNMTCYP1A2
Hydrochloric Acid SCHEMBL31521506 0.82 TAAR1 (0.95) DPP4TAAR1MAOBPNMTCYP1A2
SCHEMBL3903028 0.78 TAAR1 (0.68) DPP4TAAR1MAOBHTR2AADRA2C
SCHEMBL29512902 0.77 DPP4 (0.57) DPP4TAAR1MAOBHTR2AADRA2C

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