SCHEMBL9662015

SCHEMBL9662015

Cc1nnc2n1-c1sc(CCC(=O)N(CCO)CCO)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 0.70
CYP3A4 P08684 1/20 0.70
ALOX15 P16050 1/20 0.70
OPRK1 P41145 1/20 0.67
PDE4D Q08499 1/20 0.67

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
SCHEMBL9421189 0.91 PTAFR (0.72) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9661351 0.90 PTAFR (0.74) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL10456051 0.88 OPRK1 (0.64) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL8928418 0.88 PTAFR (0.77) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9421185 0.87 PTAFR (0.75) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9669372 0.86 OPRK1 (0.76) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9661918 0.85 PTAFR (0.73) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL8928557 0.85 PTAFR (0.73) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL10471373 0.85 OPRK1 (0.75) PTAFRCYP3A4ALOX15OPRK1PDE4D
Pyrrole SCHEMBL9661972 0.84 PTAFR (0.72) PTAFRCYP3A4ALOX15OPRK1PDE4D

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-5155103-A Methods of using new thieno-triazole-1,4-diazepino-2-carboxylic acid amides BOEHRINGER INGELHEIM GMBH (DE) 1992-10-13 US disclosed
US-5082839-A Platelet activating factor antagonist BOEHRINGER INGELHEIM GMBH (DE) 1992-01-21 US disclosed
US-4968794-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR BOEHRINGER INGELHEIM KG (DE) 1990-11-06 US disclosed