SCHEMBL10167472

SCHEMBL10167472

NCCc1cccc(CI)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.57
DRD2 P14416 3/20 0.57
DRD1 P21728 3/20 0.57
HTR2A P28223 2/20 0.52
CYP2A6 P11509 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
HTR6 P50406 2/20 0.50
HTR2C P28335 1/20 0.50
NOS1 P29475 2/20 0.47
HTR7 P34969 1/20 0.46
CYP2D6 P10635 2/20 0.44
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ADRA2A P08913 2/20 0.43
MAPT P10636 2/20 0.43
DRD4 P21917 2/20 0.43
DRD5 P21918 2/20 0.43
SLC6A2 P23975 2/20 0.43

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
SCHEMBL659100 0.88 TAAR1 (0.70) TAAR1DRD2DRD1HTR2ACYP2A6
Hydrochloric Acid SCHEMBL3957562 0.85 TAAR1 (0.67) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL9313214 0.85 MEN1 (0.46) TAAR1DRD2DRD1NOS1CYP2D6
SCHEMBL646951 0.83 ALDH1A1 (0.43) TAAR1LOXL2NOS1CYP2D6NOS3
SCHEMBL2642524 0.81 TAAR1 (0.61) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL16624583 0.81 LOXL2 (0.55) TAAR1SMN1; SMN2LOXL2NOS1NOS3
SCHEMBL13313981 0.77 CNR1 (0.42) TAAR1DRD2DRD1DRD4DRD5
SCHEMBL171704 0.77 TAAR1 (0.57) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL207005 0.77 TAAR1 (0.63) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL3057497 0.77 TAAR1 (0.63) TAAR1DRD2DRD1HTR2ACYP2A6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088941-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2012-01-03 US disclosed