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SCHEMBL6983058

SCHEMBL6983058

COc1cc2c3c(n(Cc4ccccc4)c2cc1CCC#N)CCCC3C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.46
▸ PLA2G2A P14555 3/20 0.41
▸ FABP4 P15090 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TSPO P30536 2/20 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
SCHEMBL6982887 0.89 HTR6 (0.40) HTR6PLA2G2AFABP4TSPO
SCHEMBL6976610 0.89 HTR6 (0.48) HTR6PLA2G2AFABP4KDM4EALDH1A1
SCHEMBL6983468 0.89 HTR6 (0.51) HTR6PLA2G2ATSPO
SCHEMBL6694888 0.89 HTR6 (0.51) HTR6PLA2G2ATSPO
SCHEMBL29862814 0.88 PLA2G2A (0.45) HTR6PLA2G2A
SCHEMBL818540 0.88 PLA2G2A (0.45) HTR6PLA2G2A
SCHEMBL6976613 0.87 HTR6 (0.46) HTR6PLA2G2AFABP4KDM4EALDH1A1
SCHEMBL6129626 0.85 HTR6 (0.37) HTR6PLA2G2AFABP4
SCHEMBL6129627 0.83 HTR6 (0.36) HTR6PLA2G2AFABP4
SCHEMBL6985482 0.80 HTR6 (0.45) HTR6PLA2G2ATSPO

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