SCHEMBL21556969

SCHEMBL21556969

N=C(N)NCCc1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.57
CNR1 P21554 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
C1S P09871 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
CYP2D6 P10635 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41

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
SCHEMBL4099500 0.83 F10 (0.52) TAAR1NPC1C1SIDO1AGXT
SCHEMBL3926078 0.81 DRD2 (0.55) TAAR1CA1CA2IDO1CYP2D6
SCHEMBL10287770 0.80 TAAR1 (0.36) TAAR1CNR1NPC1RAB9AC1S
SCHEMBL13840687 0.80 TAAR1 (0.53) TAAR1CNR1NPC1RAB9AIDO1
SCHEMBL3927829 0.80 CYP2D6 (0.47) TAAR1NPC1RAB9AIDO1CYP2D6
SCHEMBL15139083 0.80 F10 (0.47) AGXTPLAAT5PLAAT4CYP2D6NOS3
SCHEMBL3926060 0.80 TAAR1 (0.57) TAAR1CNR1GPR84IDO1AGXT
SCHEMBL10310249 0.80 SMN1; SMN2 (0.57) TAAR1CNR1NPC1RAB9AIDO1
SCHEMBL10310247 0.79 TAAR1 (0.52) TAAR1CNR1RAB9AIDO1PLAAT5
Hydrochloric Acid SCHEMBL28487854 0.79 TAAR1 (0.56) TAAR1CNR1IDO1AGXTNOS3

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
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed