SCHEMBL8812552

SCHEMBL8812552

CCOC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1CCl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
TRPA1 O75762 2/20 0.49
PRMT1 Q99873 1/20 0.49
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTPN11 Q06124 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL9686157 0.89 NPSR1 (0.55) ALOX15TRPA1PRMT1LMNAHTT
SCHEMBL9684629 0.88 PRMT1 (0.51) ALOX15TRPA1PRMT1LMNAHPGD
SCHEMBL9685436 0.88 PRMT1 (0.51) ALOX15TRPA1PRMT1LMNAHPGD
SCHEMBL9298122 0.88 PRMT1 (0.51) ALOX15TRPA1PRMT1LMNAHPGD
SCHEMBL9685366 0.87 PTPN11 (0.59) TRPA1PRMT1LMNAALDH1A1TSHR
SCHEMBL8810854 0.84 HPGD (0.45) TRPA1PRMT1LMNAHPGDHTT
SCHEMBL9685091 0.84 TRPA1 (0.59) ALOX15TRPA1PRMT1LMNAHTT
SCHEMBL9686678 0.83 TRPA1 (0.56) ALOX15TRPA1PRMT1LMNAHTT
SCHEMBL11870333 0.82 TRPA1 (0.46) ALOX15TRPA1PRMT1LMNAHPGD
SCHEMBL1618023 0.82 PRMT1 (0.61) PRMT1LMNAALDH1A1TSHRMAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257102-B1 AGENTS FOR TREATING NEUROPHATHY MITSUI PETROCHEMICAL IND (JP) 1997-11-19 EP disclosed
EP-0799617-A2 Therapeutic agent for neurological diseases MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-10-08 EP disclosed
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
EP-0192783-B1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-17 EP disclosed
US-4959368-A PYRIMIDINE DERIVATIVES MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1990-09-25 US disclosed
US-4742165-A HERBICIDES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-05-03 US disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
EP-0257102-A1 AGENTS FOR TREATING NEUROPHATHY Mitsui Chemicals, Inc. (JP) 1988-03-02 EP disclosed
EP-0192783-A1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-09-03 EP disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 EP disclosed