SCHEMBL9686181

SCHEMBL9686181

ON=C1CCCc2nc(N3CCN(Cc4ccccc4)CC3)ncc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.71
LMNA P02545 4/20 0.71
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
USP2 O75604 2/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 4/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CASP1 P29466 1/20 0.46
CASP5 P51878 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
BCL2L1 Q07817 1/20 0.43
TRPA1 O75762 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GRM2 Q14416 1/20 0.41

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
SCHEMBL9686179 1.00 HTT (0.71) HTTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL9685255 0.83 HTT (1.00) HTTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL8897525 0.80 LMNA (0.71) HTTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL9686623 0.80 LMNA (0.61) HTTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL9686625 0.80 LMNA (0.61) HTTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL25678316 0.78 LMNA (0.67) HTTLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL9684395 0.74 HTT (0.68) HTTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL9684514 0.73 LMNA (0.67) HTTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL8808001 0.73 HTT (0.67) HTTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL8808175 0.72 HTT (0.65) HTTLMNAALDH1A1SMN1; SMN2USP2

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 6 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
EP-0192783-B1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-17 EP 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-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