SCHEMBL11279730

SCHEMBL11279730

CC1=NC(Cl)=CC2=NCC(c3ccccc3)N12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
RIPK1 Q13546 1/20 0.31
KIF11 P52732 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
Hydrochloric Acid SCHEMBL11272001 0.99 P2RX7 (0.32) P2RX7MAOBMAOACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL11520149 0.81
Hydrochloric Acid SCHEMBL11267503 0.68 NPC1 (0.39) MEN1ALDH1A1ALOX12KMT2AMAPK1
SCHEMBL28875333 0.66 CHRNA7 (0.43) MAOBMAOACHRNB2CHRNB4CHRNA3
SCHEMBL11196354 0.59 CHRNB2 (0.39) MAOBMAOACHRNB2CHRNB4CHRNA3
SCHEMBL19308891 0.59 CHRNA7 (0.42) MAOBMAOACHRNB2CHRNB4CHRNA3
Bromide SCHEMBL11623605 0.57 NPSR1 (0.48) MAOBMAOACHRNB2CHRNB4CHRNA3
Dazepinil SCHEMBL499286 0.57 CHRNB2 (0.40) MAOBMAOACHRNB2CHRNB4CHRNA3
SCHEMBL11211464 0.57 NPC1 (0.49) MAOAKMT2A
Dazepinil SCHEMBL121402 0.56 CHRNB2 (0.39) MAOBMAOACHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004173-B1 2,3-DIHYDROIMIDAZO (1,2-C) PYRIMIDINES, THEIR PREPARATION, FORMULATIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS ELI LILLY AND COMPANY (US) 1982-09-22 EP claimed
EP-0004173-A1 2,3-Dihydroimidazo (1,2-c) pyrimidines, their preparation, formulations containing them and their use as pharmaceuticals ELI LILLY AND COMPANY (US) 1979-09-19 EP claimed
US-4153695-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-05-08 US claimed