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SCHEMBL7864153

SCHEMBL7864153

CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)OCCC#Cc2cccnc2)C1CC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.39
▸ TMIGD3 P0DMS9 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34

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
SCHEMBL8135155 0.94 ADORA3 (0.40) ADORA3TMIGD3MAPK1MAPTCYP3A4
SCHEMBL7864221 0.90 ADORA3 (0.40) ADORA3TMIGD3MAPK1MAPTCYP3A4
SCHEMBL8138174 0.89 ADORA3 (0.36) ADORA3TMIGD3MAPK1MAPTTSHR
SCHEMBL7864187 0.87 ADORA3 (0.39) ADORA3TMIGD3MAPK1MAPTCYP3A4
SCHEMBL7876067 0.87 ADORA3 (0.38) ADORA3TMIGD3MAPK1MAPTCYP3A4
SCHEMBL7876032 0.85 ADORA3 (0.41) ADORA3TMIGD3MAPK1MAPTCYP3A4
SCHEMBL7871349 0.84 ADORA3 (0.38) ADORA3TMIGD3MAPK1MAPTCYP3A4
SCHEMBL7864225 0.84 ADORA3 (0.41) ADORA3TMIGD3MAPK1CYP3A4TSHR
SCHEMBL7869604 0.84 ADORA3 (0.40) ADORA3TMIGD3MAPK1MAPTCYP3A4
SCHEMBL7864155 0.83 ITGB1 (0.33) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306853-B1 DICARBOXYLIC ESTER DERIVATIVES OF DIHYDROPYRIDINE COMPOUNDS NIKKEN CHEMICALS CO., LTD. (JP) 2001-10-23 — — US disclosed