SCHEMBL9686152

SCHEMBL9686152

COC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.54
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRM4 P08173 3/20 0.49
HTT P42858 3/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
PTPN11 Q06124 1/20 0.47
USP2 O75604 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
SCHEMBL9684387 0.88 TRPA1 (0.55) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL9686751 0.84 TRPA1 (0.61) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL3957492 0.82 HDAC6 (0.57) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL27316944 0.79 POLB (0.55) LMNAALDH1A1SMN1; SMN2MAPTPTPN11
SCHEMBL9685139 0.78 TRPA1 (0.56) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL9686157 0.78 NPSR1 (0.55) TRPA1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL9298122 0.77 PRMT1 (0.51) TRPA1LMNAALDH1A1HTTHPGD
SCHEMBL9685436 0.77 PRMT1 (0.51) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL9684629 0.77 PRMT1 (0.51) TRPA1LMNAALDH1A1HTTHPGD
SCHEMBL8809831 0.77 TRPA1 (0.52) TRPA1LMNAALDH1A1HTTTSHR

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