SCHEMBL29648704

SCHEMBL29648704

O=C1NCCCC[C@H]1Nc1nc2c(Br)cccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.32
TACR2 P21452 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SCN9A Q15858 3/20 0.31
FPR2 P25090 1/20 0.31
SLC5A1 P13866 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL22978985 1.00 TACR1 (0.32) TACR1TACR2NPC1RAB9ASCN9A
SCHEMBL22980169 1.00 TACR1 (0.32) TACR1TACR2NPC1RAB9ASCN9A
SCHEMBL29648710 1.00 TACR1 (0.32) TACR1TACR2NPC1RAB9ASCN9A
SCHEMBL22979089 0.91 TACR1 (0.34) TACR1TACR2NPC1RAB9A
SCHEMBL29648738 0.91 TACR1 (0.34) TACR1TACR2NPC1RAB9A
SCHEMBL29648750 0.90 DDB1 (0.35) SCN9AHCRTR1HCRTR2
SCHEMBL22979265 0.90 DDB1 (0.35) SCN9AHCRTR1HCRTR2
SCHEMBL22979251 0.90 KDM4E (0.36) NPC1RAB9ASCN9ASLC5A1HCRTR1
SCHEMBL22981097 0.90 KDM4E (0.36) NPC1RAB9ASCN9ASLC5A1HCRTR1
SCHEMBL29648654 0.90 KDM4E (0.36) NPC1RAB9ASCN9ASLC5A1HCRTR1

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-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed