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SCHEMBL18292015

SCHEMBL18292015

Cc1nnc(NC(=O)CCCc2cn(CCCC[C@H](NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)CCC(C)(c3ccc(O)cc3)c3ccc(O)cc3)C(=O)O)C(=O)O)C(=O)NCCOCCOCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)nn2)s1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 11/20 0.37
▸ FOLH1 Q04609 10/20 0.37
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34

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
SCHEMBL20158620 0.96 DGAT1 (0.35) DGAT1FOLH1CHRNA7CHRNA10CHRNA9
SCHEMBL18281369 0.93 CA9 (0.41) DGAT1FOLH1CHRNA7CHRNA10CHRNA9
SCHEMBL18281370 0.93 CA9 (0.41) DGAT1FOLH1CHRNA7CHRNA10CHRNA9
SCHEMBL21117586 0.91 CA9 (0.40) DGAT1FOLH1CHRNA7CHRNA10CHRNA9
SCHEMBL20158617 0.91 DGAT1 (0.38) DGAT1FOLH1
SCHEMBL19605919 0.90 CA9 (0.39) DGAT1FOLH1CHRNA7CHRNA10CHRNA9
SCHEMBL19605844 0.89 FOLH1 (0.38) DGAT1FOLH1
SCHEMBL19605828 0.86 CA9 (0.38) DGAT1FOLH1CHRNA7CHRNA10CHRNA9
SCHEMBL20515159 0.84 CA9 (0.43) DGAT1FOLH1
SCHEMBL20515160 0.84 CA9 (0.43) DGAT1FOLH1

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
WO-2016196628-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2016-12-08 — — WO disclosed
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