SCHEMBL8898023

SCHEMBL8898023

CN1Cc2nc(N3CCN(Cc4ccccc4)CC3)ncc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.64
LMNA P02545 5/20 0.64
ALDH1A1 P00352 6/20 0.55
TSHR P16473 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 3/20 0.55
GAA P10253 2/20 0.55
HSD17B10 Q99714 1/20 0.55
USP2 O75604 2/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CASP1 P29466 1/20 0.44
CASP5 P51878 1/20 0.44
TRPA1 O75762 1/20 0.44
HTR7 P34969 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
SCHEMBL9686172 0.87 LMNA (0.60) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9685234 0.87 HTT (0.62) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9686720 0.86 HTT (0.61) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8808754 0.86 HTT (0.64) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9685116 0.85 HTT (0.63) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9686619 0.85 LMNA (0.58) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL4767494 0.83 TSHR (0.47) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8811620 0.83 HTT (0.58) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9298962 0.81 HTT (0.64) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9684514 0.81 LMNA (0.67) HTTLMNAALDH1A1TSHRSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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