SCHEMBL9685111

SCHEMBL9685111

O=C1c2cnc(N3CCN(Cc4ccccc4)CC3)nc2CN1C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.63
LMNA P02545 7/20 0.63
ALDH1A1 P00352 7/20 0.50
TSHR P16473 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 3/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 4/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.43
IKZF2 Q9UKS7 1/20 0.42
CASP1 P29466 1/20 0.42
CASP5 P51878 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRM4 P08173 2/20 0.41
KDM4E B2RXH2 2/20 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
SCHEMBL8898023 0.81 HTT (0.64) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9685116 0.80 HTT (0.63) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9685234 0.79 HTT (0.62) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9684472 0.79 ALDH1A1 (0.46) LMNAALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL8808754 0.78 HTT (0.64) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9686720 0.78 HTT (0.61) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9685255 0.78 HTT (1.00) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9686172 0.78 LMNA (0.60) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8808001 0.76 HTT (0.67) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9686619 0.76 LMNA (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61243082-A None JP disclosed
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
JP-S61243082-A 2-PIPERAZINOPYRIMIDINE DERIVATIVE MITSUI PETROCHEM IND LTD 1986-10-29 JP disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 EP disclosed