SCHEMBL8809105

SCHEMBL8809105

CC1C(=O)N(C)c2nc(N3CCN(Cc4ccccc4)CC3)ncc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.51
LMNA P02545 5/20 0.51
ALDH1A1 P00352 6/20 0.47
TSHR P16473 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
TRPA1 O75762 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CASP1 P29466 1/20 0.43
CASP5 P51878 1/20 0.43
CHRM4 P08173 3/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL10521164 0.78 HTT (0.51) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8808269 0.78 HTT (0.53) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8810642 0.77 HTT (0.52) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9298962 0.75 HTT (0.64) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8810475 0.74 LMNA (0.53) HTTLMNAALDH1A1TSHRSMN1; SMN2
Maleic Acid SCHEMBL8810283 0.72 HSD17B10 (0.40) LMNAALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL9686598 0.72 HTT (0.51) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8898023 0.71 HTT (0.64) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9686754 0.71 HTT (0.50) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8809616 0.71 HTT (0.61) 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 4 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
US-4959368-A PYRIMIDINE DERIVATIVES MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1990-09-25 US disclosed
EP-0257102-A1 AGENTS FOR TREATING NEUROPHATHY Mitsui Chemicals, Inc. (JP) 1988-03-02 EP disclosed