SCHEMBL8878047

SCHEMBL8878047

Cc1nnc2n1-c1sc(CCCN3CCOCC3)cc1C(c1ccccc1Cl)=NC2C

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 16/20 0.60
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TBXAS1 P24557 2/20 0.46
OPRK1 P41145 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL10410718 0.97 PTAFR (0.58) PTAFRCYP3A4ALOX15TBXAS1OPRK1
SCHEMBL10412015 0.85 PTAFR (0.67) PTAFRCYP3A4ALOX15TBXAS1OPRK1
SCHEMBL25874350 0.84 PTAFR (0.72) PTAFRCYP3A4ALOX15TBXAS1OPRK1
SCHEMBL9523592 0.84 PTAFR (0.66) PTAFRCYP3A4ALOX15TBXAS1OPRK1
SCHEMBL10410495 0.83 PTAFR (0.70) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9667471 0.83 PTAFR (0.72) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9039332 0.82 PTAFR (0.63) PTAFRCYP3A4ALOX15TBXAS1OPRK1
SCHEMBL9040170 0.82 PTAFR (0.63) PTAFRCYP3A4ALOX15TBXAS1OPRK1
SCHEMBL10445676 0.81 PTAFR (0.56) PTAFRCYP3A4ALOX15TBXAS1OPRK1
SCHEMBL9041476 0.81 PTAFR (0.62) PTAFRCYP3A4ALOX15TBXAS1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP claimed
EP-0328924-A2 Thienotriazolodiazepine compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-08-23 EP claimed
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed
US-4937240-A PLATELET ACTIVATING FACTOR ANTAGONISTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-06-26 US disclosed
EP-0328924-A2 Thienotriazolodiazepine compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-08-23 EP disclosed