SCHEMBL10694413

SCHEMBL10694413

Cc1cnc2n1-c1ccc(OCCCN3CCOCC3)cc1C(c1ccccc1)=NC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
SCN1A P35498 1/20 0.45
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN2A Q99250 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SCN3A Q9NY46 1/20 0.45
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
FGFR1 P11362 2/20 0.44
SRC P12931 2/20 0.44
PPARG P37231 1/20 0.43
GRM4 Q14833 1/20 0.43
NPC1 O15118 1/20 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
SCHEMBL10698677 0.88 GABRA1 (0.56) HTR2ALMNAFGFR1SRCPPARG
SCHEMBL10694618 0.83 GABRA1 (0.56) HTR2ALMNAPPARGNPC1RAB9A
SCHEMBL10691138 0.80 GABRA1 (0.49) ALDH1A1HTR2AKCNH2LMNA
SCHEMBL10691683 0.76 HPGD (0.44) ALDH1A1LMNA
SCHEMBL11832211 0.74 GABRA5 (0.51) KCNH2LMNA
SCHEMBL11826946 0.74 GABRA1 (0.69) ALDH1A1CHRM1KCNH2LMNARAB9A
SCHEMBL11809246 0.74 OPRK1 (0.69) HTR2AKCNH2LMNAADORA3
SCHEMBL11826392 0.73 GABRA1 (0.59) KCNH2LMNA
SCHEMBL10693440 0.72 GABRA1 (0.60) ALDH1A1HTR2ALMNANPC1
SCHEMBL11835751 0.72 GABRA1 (0.49) CHRM1HTR2AKCNH2LMNA

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-0255028-A2 1,4-Benzodiazepines, their preparation and use as PAF antagonists BOEHRINGER INGELHEIM KG (DE) 1988-02-03 EP disclosed