SCHEMBL9686157

SCHEMBL9686157

CCOC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
RAB9A P51151 1/20 0.55
PRMT1 Q99873 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
TRPA1 O75762 2/20 0.52
PTPN11 Q06124 2/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL9684629 0.90 PRMT1 (0.51) NPSR1RAB9APRMT1TRPA1PTPN11
SCHEMBL9685436 0.90 PRMT1 (0.51) NPSR1RAB9APRMT1TRPA1PTPN11
SCHEMBL9298122 0.90 PRMT1 (0.51) NPSR1RAB9APRMT1TRPA1PTPN11
SCHEMBL9684387 0.90 TRPA1 (0.55) NPSR1MAPTTRPA1PTPN11LMNA
SCHEMBL9685366 0.89 PTPN11 (0.59) RAB9APRMT1MAPTTRPA1PTPN11
SCHEMBL8812552 0.89 ALOX15 (0.51) NPSR1PRMT1MAPTTRPA1PTPN11
SCHEMBL9685139 0.88 TRPA1 (0.56) NPSR1RAB9APOLBTRPA1PTPN11
SCHEMBL9685091 0.87 TRPA1 (0.59) NPSR1RAB9APRMT1POLBMAPT
SCHEMBL9686678 0.86 TRPA1 (0.56) NPSR1RAB9APRMT1POLBMAPT
SCHEMBL9686160 0.85 TRPA1 (0.54) NPSR1POLBTRPA1PTPN11LMNA

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