Sugi Predict

Sugi Predict / Compounds / SCHEMBL6982702

SCHEMBL6982702

SCHEMBL6982702

NC(=O)C1CCCc2c1c1cc(O)c(CCc3ccccc3)cc1n2Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.43
▸ FABP4 P15090 2/20 0.41
▸ PLA2G2A P14555 1/20 0.40
▸ SRC P12931 2/20 0.39
▸ TSPO P30536 1/20 0.37

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
SCHEMBL6982837 0.91 HTR6 (0.46) HTR6FABP4PLA2G2ASRCTSPO
SCHEMBL6982832 0.91 HTR6 (0.46) HTR6FABP4PLA2G2ASRCTSPO
SCHEMBL6982887 0.90 HTR6 (0.40) HTR6FABP4PLA2G2ASRCTSPO
SCHEMBL6695314 0.89 HTR6 (0.41) HTR6FABP4PLA2G2ATSPO
SCHEMBL29966259 0.82 HTR6 (0.58) HTR6TSPO
SCHEMBL6694888 0.82 HTR6 (0.51) HTR6PLA2G2ATSPO
SCHEMBL6983468 0.82 HTR6 (0.51) HTR6PLA2G2ATSPO
SCHEMBL6976610 0.81 HTR6 (0.48) HTR6FABP4PLA2G2ATSPO
SCHEMBL819415 0.79 PLA2G2A (0.51) HTR6PLA2G2A
SCHEMBL818729 0.79 PLA2G2A (0.51) HTR6PLA2G2A

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
EP-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 — — EP disclosed
WO-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 — — WO disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 — — EP disclosed