SCHEMBL3907346

SCHEMBL3907346

Cc1cccc(CCN)c1-c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.53
LOXL2 Q9Y4K0 3/20 0.42
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
HTR7 P34969 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL3916729 0.79 TAAR1 (0.53) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL11155208 0.79 MAPT (0.48) LOXL2MAPTMGAMGAASI
SCHEMBL3907483 0.78 TAAR1 (0.52) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL3904012 0.77 CYP46A1 (0.36) MAPTMGAMGAASIMGAM2
SCHEMBL3906134 0.75 ROCK2 (0.40) MAPTSMN1; SMN2
SCHEMBL10586853 0.73 ADRA2C (0.49) TAAR1LOXL2HTR2A
SCHEMBL726804 0.71 TAAR1 (0.68) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL3902114 0.71 TAAR1 (0.52) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL9952031 0.71 TAAR1 (0.40) TAAR1LOXL2HTR2A
SCHEMBL143303 0.71 TAAR1 (1.00) TAAR1LOXL2HTR2AMAPTSMN1; SMN2

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