SCHEMBL9838474

SCHEMBL9838474

Cc1nnc2n1-c1sc(C(C)OC(=O)c3ccccc3)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 0.59
OPRK1 P41145 1/20 0.58
PDE4D Q08499 1/20 0.58
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53

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
Hydrochloric Acid SCHEMBL9836970 0.99 PTAFR (0.58) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9838584 0.95 PTAFR (0.58) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9837222 0.93 PTAFR (0.56) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9836977 0.89 PTAFR (0.50) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9837009 0.88 PTAFR (0.58) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9838502 0.88 PTAFR (0.59) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9837230 0.88 PTAFR (0.62) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10512188 0.88 PTAFR (0.52) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9838591 0.87 OPRK1 (0.52) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL9837220 0.86 PTAFR (0.57) PTAFROPRK1PDE4DCYP3A4ALOX15

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
US-5028603-A Platelet-Activating Factor Antagonist; Useful In Treatment Of Inflammatory Diseases, Allergic Diseases, Asthma, Respiratory System Disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-07-02 US disclosed
EP-0316456-A1 ESTER-SUBSTITUTED THIENOTRIAZOLODIAZEPINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-24 EP disclosed