SCHEMBL6993952

SCHEMBL6993952

c1ccc(-c2[nH]c(-c3ccccc3)c3c2CCCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.59
BRD4 O60885 1/20 0.51

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
SCHEMBL6992970 0.95 BRD4 (0.56) HSD11B1BRD4
SCHEMBL6990217 0.84 PTGS2 (0.47) HSD11B1BRD4
SCHEMBL6990226 0.78 BRD4 (0.43) HSD11B1BRD4
SCHEMBL6998947 0.77 BRD4 (0.54) HSD11B1BRD4
SCHEMBL6989278 0.77 PTGS1 (0.52) HSD11B1BRD4
SCHEMBL6991232 0.77 BRD4 (0.57) HSD11B1BRD4
SCHEMBL6998152 0.76 KDM4E (0.44) HSD11B1BRD4
SCHEMBL6996631 0.76 KDM4E (0.44) HSD11B1BRD4
Hydrochloric Acid SCHEMBL8015300 0.74 KDM4E (0.43) HSD11B1BRD4
SCHEMBL24263871 0.73 BRD4 (0.94) BRD4

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-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP disclosed