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SCHEMBL19829444

SCHEMBL19829444

CCCCN(c1nc(C)nc(N(CCCNc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)CCN(C)CCCNc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)n1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 4/20 0.36
▸ SLC29A1 Q99808 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
SCHEMBL14495609 0.96 CRHR1 (0.34) CRHR1
SCHEMBL226334 0.91 SLC29A1 (0.35) CRHR1SLC29A1
SCHEMBL19829442 0.88 CRHR1 (0.35) CRHR1
SCHEMBL9917156 0.88 CRHR1 (0.30) CRHR1
SCHEMBL12976140 0.87 CRHR1 (0.30) CRHR1
SCHEMBL12701577 0.87 CRHR1 (0.32) CRHR1
SCHEMBL10801042 0.85 SMN1; SMN2 (0.33) CRHR1SLC29A1
SCHEMBL698299 0.85 SLC29A1 (0.32) SLC29A1
SCHEMBL3136072 0.84 SLC29A1 (0.33) SLC29A1
SCHEMBL13871940 0.84 — —

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
US-20180030222-A1 LIGHT STABILIZED POLYOLEFIN FILMS, TAPES AND MONOFILAMENTS BASF SE (DE) 2018-02-01 — — US disclosed