SCHEMBL9805977

SCHEMBL9805977

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 1/20 0.62
MMP2 P08253 1/20 0.62
MMP9 P14780 1/20 0.62
ITGB2 P05107 1/20 0.61
ICAM1 P05362 1/20 0.61
ITGAL P20701 1/20 0.61
TACR1 P25103 1/20 0.60
BRS3 P32247 1/20 0.60
KMT2A Q03164 1/20 0.59
ALOX15 P16050 1/20 0.57
ACE P12821 2/20 0.56
PPARG P37231 1/20 0.55

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
SCHEMBL11346003 1.00 KCNT1 (0.62) KCNT1MMP2MMP9ITGB2ICAM1
SCHEMBL8705016 0.92 KCNT1 (0.69) KCNT1MMP2MMP9ITGB2ICAM1
SCHEMBL900917 0.92 KCNT1 (0.69) KCNT1MMP2MMP9ITGB2ICAM1
SCHEMBL9583736 0.92 KCNT1 (0.69) KCNT1MMP2MMP9ITGB2ICAM1
SCHEMBL29810269 0.92 KCNT1 (0.69) KCNT1MMP2MMP9ITGB2ICAM1
SCHEMBL24122265 0.89 ACE (0.64) ACE
SCHEMBL11349644 0.88 MAPT (0.61) KCNT1MMP2MMP9TACR1BRS3
SCHEMBL22654181 0.86 ALOX15 (0.65) MMP2MMP9ITGB2ICAM1ITGAL
SCHEMBL150050 0.86 ALOX15 (0.65) MMP2MMP9ITGB2ICAM1ITGAL
SCHEMBL29773000 0.86 ALOX15 (0.65) MMP2MMP9ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422181-A1 METHOD AND MEANS FOR INDUCING, RESP., PREVENTING CONSTRICTION OF THE PUPIL IN THE EYE Kabi Pharmacia AB (SE) 1991-04-17 EP disclosed
WO-1990011773-A1 METHOD AND MEANS FOR INDUCING, RESP., PREVENTING CONSTRICTION OF THE PUPIL IN THE EYE PHARMACIA AB (SE) 1990-10-18 WO disclosed