SCHEMBL9684556

SCHEMBL9684556

CCn1ccc2nc(N3CCN(Cc4ccccc4)CC3)ncc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GRM2 Q14416 2/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 1/20 0.45
HTR1A P08908 4/20 0.45
DRD2 P14416 3/20 0.45
HTR2A P28223 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR7 P34969 1/20 0.44
NCF1 P14598 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
SCHEMBL10824274 0.89 NPC1 (0.48) LMNAHTTNPC1RAB9AGRM2
SCHEMBL9686858 0.85 HTR3A (0.55) LMNAKDM4EMAPK1HTR1ADRD2
SCHEMBL9686660 0.82 HTT (0.48) LMNAHTTNPC1RAB9AKDM4E
SCHEMBL9685229 0.81 USP19 (0.51) LMNAMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9686146 0.80 HTT (0.46) LMNAHTTNPC1RAB9AMAPT
SCHEMBL9686777 0.79 GRM2 (0.48) LMNAHTTRAB9AGRM2KDM4E
SCHEMBL13404501 0.77 HTR3E (0.54) LMNANPC1RAB9AKDM4EMAPT
SCHEMBL9686198 0.77 TSHR (0.40) TSHRMEN1KMT2A
SCHEMBL10824470 0.76 LMNA (0.54) LMNAHTTNPC1RAB9AGRM2
SCHEMBL9685405 0.76 PRMT1 (0.46) LMNAHTTKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61057581-A None JP disclosed
JP-61053284-A None JP disclosed
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 EP disclosed
JP-S6157581-A 1,4-DIHYDRO-2-PIPERAZINOPYRIDOPYRIMIDINE DERIVATIVE MITSUI PETROCHEM IND LTD 1986-03-24 JP disclosed
JP-S6153284-A THIOXOPYRIDOPYRIMIDINE DERIVATIVE MITSUI PETROCHEM IND LTD 1986-03-17 JP disclosed