SCHEMBL3916729

SCHEMBL3916729

Cc1cccc(CCN)c1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.53
MAOB P27338 1/20 0.46
HTR2A P28223 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL3907346 0.79 TAAR1 (0.53) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL30507348 0.79 MGAM (0.46) MAPTNPSR1CYP1A2
SCHEMBL3907788 0.79 TAAR1 (0.49) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL3902047 0.76 MTNR1A (0.39) MAPT
SCHEMBL3915605 0.76 TAAR1 (0.58) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL23536662 0.76 TAAR1 (0.63) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL3907483 0.75 TAAR1 (0.52) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL3904582 0.75 TAAR1 (0.52) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL25955879 0.74 TAAR1 (0.51) TAAR1MAOBHTR2A
SCHEMBL3904438 0.73 TAAR1 (0.55) TAAR1MAOBHTR2A

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