SCHEMBL9686751

SCHEMBL9686751

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.61
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTPN11 Q06124 2/20 0.47
HTT P42858 4/20 0.46
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
PPP1CA P62136 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 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
SCHEMBL9685091 0.92 TRPA1 (0.59) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL9685068 0.91 TRPA1 (0.64) TRPA1LMNAPTPN11HTTKDM4E
SCHEMBL9684409 0.86 TRPA1 (0.59) TRPA1LMNAPTPN11HTTKDM4E
SCHEMBL9684387 0.85 TRPA1 (0.55) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL9686152 0.84 TRPA1 (0.54) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL9686678 0.81 TRPA1 (0.56) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL9686176 0.80 TRPA1 (0.57) TRPA1LMNAALDH1A1HTTKDM4E
SCHEMBL9686681 0.79 KDM4E (0.42) TRPA1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3957492 0.79 HDAC6 (0.57) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL9686157 0.78 NPSR1 (0.55) TRPA1LMNAALDH1A1PTPN11HTT

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