SCHEMBL9686172

SCHEMBL9686172

CCCN1Cc2nc(N3CCN(Cc4ccccc4)CC3)ncc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.60
HTT P42858 5/20 0.60
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 3/20 0.52
HPGD P15428 3/20 0.52
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 1/20 0.43
GRM2 Q14416 1/20 0.42
POLB P06746 1/20 0.42
PTPN11 Q06124 1/20 0.42
TRPA1 O75762 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
SCHEMBL9686619 0.94 LMNA (0.58) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL9685234 0.92 HTT (0.62) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL8898023 0.87 HTT (0.64) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL9684514 0.84 LMNA (0.67) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL8815121 0.84 HTT (0.58) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL8809481 0.84 HTT (0.53) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL9686720 0.82 HTT (0.61) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL8808754 0.82 HTT (0.64) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL9685116 0.82 HTT (0.63) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL8811620 0.82 HTT (0.58) LMNAHTTALDH1A1SMN1; 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 3 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
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