SCHEMBL3906112

SCHEMBL3906112

NCCc1ccccc1-c1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.60
TAAR1 Q96RJ0 10/20 0.56
HTR7 P34969 1/20 0.45
DPP4 P27487 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
MC4R P32245 1/20 0.41
KIF11 P52732 1/20 0.40
CD274 Q9NZQ7 1/20 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
SCHEMBL14415627 0.90 ADRA2C (0.50) ADRA2CTAAR1HTR7DPP4PTGER1
SCHEMBL16814898 0.86 DPP4 (0.62) ADRA2CTAAR1DPP4PTGER1PTGER4
Hydrochloric Acid SCHEMBL4750273 0.84 TAAR1 (0.52) ADRA2CTAAR1DPP4CD274
SCHEMBL19910795 0.81 TAAR1 (0.50) ADRA2CTAAR1HTR7PTGER2
SCHEMBL16520425 0.81 TAAR1 (0.50) ADRA2CTAAR1HTR7PTGER2
SCHEMBL3904438 0.80 TAAR1 (0.55) ADRA2CTAAR1DPP4
SCHEMBL11994129 0.80 MC4R (0.47) ADRA2CTAAR1HTR7PTGER1PTGER4
SCHEMBL7710601 0.79 ADRA2C (0.60) ADRA2CTAAR1HTR7DPP4PTGER1
SCHEMBL1868872 0.79 DPP4 (0.68) ADRA2CTAAR1DPP4
SCHEMBL26823954 0.79 TAAR1 (0.51) ADRA2CTAAR1HTR7CD274

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