SCHEMBL7300190

SCHEMBL7300190

N#Cc1cccc2c1[C]CCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.36
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7294185 0.73 ITGB2 (0.38) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL7290581 0.73 ITGB2 (0.38) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL9584137 0.73 MAP3K14 (0.43) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL7290875 0.73 ITGB2 (0.38) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL7301421 0.72 TRPA1 (0.33) TRPA1KDM4EALDH1A1MCL1TSHR
SCHEMBL14304553 0.71 ITGB2 (0.39) TRPA1ITGB2ICAM1ITGALNPC1
SCHEMBL7128137 0.71 ITGB2 (0.44) TRPA1ITGB2ICAM1ITGALNPC1
SCHEMBL7302180 0.69 ITGB2 (0.34) ITGB2ICAM1ITGALKMT2AEGFR
SCHEMBL9583523 0.69 CTNNB1 (0.43) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL7299156 0.69 TRPA1 (0.33) TRPA1KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed