SCHEMBL9685068

SCHEMBL9685068

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.64
PTPN11 Q06124 2/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ACHE P22303 3/20 0.45
HTR7 P34969 1/20 0.45
KCNH2 Q12809 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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 0.91 TRPA1 (0.61) TRPA1PTPN11LMNAHTTKDM4E
SCHEMBL9684409 0.89 TRPA1 (0.59) TRPA1PTPN11LMNAHTTKDM4E
SCHEMBL9685091 0.89 TRPA1 (0.59) TRPA1PTPN11LMNAHTTKDM4E
SCHEMBL9685139 0.83 TRPA1 (0.56) TRPA1PTPN11LMNAHTTMAPK1
SCHEMBL9686176 0.83 TRPA1 (0.57) TRPA1LMNAHTTKDM4EALOX15
SCHEMBL8809831 0.82 TRPA1 (0.52) TRPA1PTPN11LMNAHTTNPC1
SCHEMBL9686187 0.80 TRPA1 (0.52) TRPA1PTPN11LMNAHTTKDM4E
SCHEMBL9685390 0.80 TRPA1 (0.60) TRPA1PTPN11LMNAHTTKDM4E
SCHEMBL9685239 0.80 TRPA1 (0.60) TRPA1PTPN11LMNAHTTKDM4E
SCHEMBL9686804 0.79 TRPA1 (0.52) TRPA1LMNAHTTMAPK1NPSR1

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 5 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
US-RE31975-E UNSATURATED POLYESTER, UNSATURATED MONOMER, AND VINYL ESTER COPOLYMER UNION CARBIDE CORP. (US) 1985-08-27 US disclosed
US-4288571-A Polyester compositions UNION CARBIDE CORPORATION (US) 1981-09-08 US disclosed