SCHEMBL9686720

SCHEMBL9686720

CC(C)N1Cc2nc(N3CCN(Cc4ccccc4)CC3)ncc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.61
LMNA P02545 5/20 0.61
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 4/20 0.52
HPGD P15428 3/20 0.52
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.52
USP2 O75604 2/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPA1 O75762 2/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CASP1 P29466 1/20 0.42
CASP5 P51878 1/20 0.42

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
SCHEMBL8811620 0.91 HTT (0.58) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL8898023 0.86 HTT (0.64) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9685234 0.84 HTT (0.62) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL8808754 0.83 HTT (0.64) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9685116 0.83 HTT (0.63) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9686172 0.82 LMNA (0.60) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9686619 0.81 LMNA (0.58) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9684514 0.79 LMNA (0.67) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9685111 0.78 HTT (0.63) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL8815121 0.78 HTT (0.58) HTTLMNAALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
EP-0192783-B1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-17 EP disclosed
US-4742165-A HERBICIDES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-05-03 US disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
EP-0192783-A1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-09-03 EP disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 EP disclosed