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Sugi Predict / Compounds / SCHEMBL27700174

SCHEMBL27700174

SCHEMBL27700174

NC(Cc1ccccn1)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(C(=O)C3NCc5c(Cl)ccc(-c6cc7cc(C(N)Cc8ccccn8)ccc7[nH]6)c53)NC4)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ FFAR1 O14842 3/20 0.33
▸ IDO1 P14902 1/20 0.31
▸ PYGL P06737 4/20 0.31
▸ PPARG P37231 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL27720721 0.93 FFAR1 (0.33) FFAR1PYGLPPARGKDM4E
SCHEMBL27720677 0.87 FFAR1 (0.35) FFAR1PPARG
SCHEMBL27720749 0.86 CYP51A1 (0.38) FFAR1IDO1PYGL
SCHEMBL27720777 0.85 FFAR1 (0.34) FFAR1PPARG
SCHEMBL27700230 0.83 FFAR1 (0.33) FFAR1PPARG
SCHEMBL27720925 0.83 FFAR1 (0.33) FFAR1PPARG
SCHEMBL27720753 0.82 FFAR1 (0.34) FFAR1PPARG
SCHEMBL28769376 0.82 IDO1 (0.36) FFAR1IDO1PYGLPPARG
SCHEMBL27720746 0.82 KDM4E (0.46) KDM4E
SCHEMBL27700343 0.81 FFAR1 (0.32) FFAR1PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 — — CN disclosed