SCHEMBL9686160

SCHEMBL9686160

Cc1nc(N2CCN(Cc3ccccc3)CC2)ncc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.54
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTPN11 Q06124 2/20 0.49
AURKA O14965 1/20 0.48
KDR P35968 1/20 0.48
AURKB Q96GD4 1/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
HTR7 P34969 1/20 0.47
POLB P06746 1/20 0.47
BCL2L1 Q07817 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
SCHEMBL9685139 0.91 TRPA1 (0.56) TRPA1HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL9686804 0.86 TRPA1 (0.52) TRPA1HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL9684387 0.86 TRPA1 (0.55) TRPA1HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL9686157 0.85 NPSR1 (0.55) TRPA1HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL9685239 0.84 TRPA1 (0.60) TRPA1HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL9685113 0.83 TRPA1 (0.58) TRPA1HTTLMNAPTPN11
SCHEMBL9686641 0.81 TRPA1 (0.57) TRPA1HTTLMNAPTPN11
SCHEMBL9685366 0.79 PTPN11 (0.59) TRPA1LMNAALDH1A1SMN1; SMN2PTPN11
SCHEMBL9298122 0.78 PRMT1 (0.51) TRPA1HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL9684629 0.78 PRMT1 (0.51) TRPA1HTTLMNAALDH1A1SMN1; SMN2

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