SCHEMBL7628632

SCHEMBL7628632

N#Cc1cc2c(cc1Cl)OC(CCCc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.38
MTNR1B P49286 8/20 0.38
PGR P06401 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL7631332 0.79 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL7627899 0.79 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL10750642 0.74 SMN1; SMN2 (0.46) MTNR1AMTNR1B
SCHEMBL7627993 0.70 TDP1 (0.52) MTNR1AMTNR1B
SCHEMBL7636053 0.69 PGR (0.35) PGR
SCHEMBL9727669 0.68 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL7630325 0.67 SIRT2 (0.42) MTNR1AMTNR1BSIRT2
SCHEMBL5502112 0.67 DRD2 (0.45) SIRT2
SCHEMBL7626493 0.66 MTNR1A (0.49) MTNR1AMTNR1BSIRT2
SCHEMBL14435037 0.65 CYP3A4 (0.49) SIRT2

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-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 EP disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 US disclosed
EP-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO disclosed