SCHEMBL9685091

SCHEMBL9685091

CCNc1nc(N2CCN(Cc3ccccc3)CC2)ncc1C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.59
LMNA P02545 5/20 0.55
NPSR1 Q6W5P4 4/20 0.55
ALOX15 P16050 4/20 0.55
MAPK1 P28482 3/20 0.55
HTT P42858 3/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
PPP1CA P62136 3/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 2/20 0.53
PRMT1 Q99873 1/20 0.48
RAB9A P51151 1/20 0.47
PTPN11 Q06124 2/20 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
SCHEMBL9686751 0.92 TRPA1 (0.61) TRPA1LMNANPSR1ALOX15MAPK1
SCHEMBL9686678 0.89 TRPA1 (0.56) TRPA1LMNANPSR1ALOX15MAPK1
SCHEMBL9685068 0.89 TRPA1 (0.64) TRPA1LMNANPSR1ALOX15MAPK1
SCHEMBL9686157 0.87 NPSR1 (0.55) TRPA1LMNANPSR1ALOX15MAPK1
SCHEMBL9684629 0.86 PRMT1 (0.51) TRPA1LMNANPSR1ALOX15MAPK1
SCHEMBL9685436 0.86 PRMT1 (0.51) TRPA1LMNANPSR1ALOX15MAPK1
SCHEMBL9298122 0.86 PRMT1 (0.51) TRPA1LMNANPSR1ALOX15MAPK1
SCHEMBL9685366 0.85 PTPN11 (0.59) TRPA1LMNAALDH1A1TSHRTP53
SCHEMBL9684409 0.84 TRPA1 (0.59) TRPA1LMNANPSR1ALOX15MAPK1
SCHEMBL8812552 0.84 ALOX15 (0.51) TRPA1LMNANPSR1ALOX15MAPK1

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