SCHEMBL9684629

SCHEMBL9684629

CCOC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.51
TRPA1 O75762 2/20 0.51
PTPN11 Q06124 2/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9686157 0.90 NPSR1 (0.55) PRMT1TRPA1PTPN11LMNAHTT
SCHEMBL9685436 0.89 PRMT1 (0.51) PRMT1TRPA1PTPN11LMNAHTT
SCHEMBL9298122 0.89 PRMT1 (0.51) PRMT1TRPA1PTPN11LMNAHTT
SCHEMBL9685366 0.88 PTPN11 (0.59) PRMT1TRPA1PTPN11LMNAALDH1A1
SCHEMBL8812552 0.88 ALOX15 (0.51) PRMT1TRPA1PTPN11LMNAHTT
SCHEMBL9685091 0.86 TRPA1 (0.59) PRMT1TRPA1PTPN11LMNAHTT
SCHEMBL9686678 0.85 TRPA1 (0.56) PRMT1TRPA1PTPN11LMNAHTT
SCHEMBL11870333 0.83 TRPA1 (0.46) PRMT1TRPA1PTPN11LMNAHTT
SCHEMBL8808999 0.83 HTT (0.46) PRMT1TRPA1LMNAHTTALDH1A1
SCHEMBL8811292 0.83 TRPA1 (0.49) PRMT1TRPA1LMNAHTTALDH1A1

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