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SCHEMBL9926865

SCHEMBL9926865

CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(OCCC)C(C)(C)C3)nc(N(CCCC)C3CC(C)(C)N(OCCC)C(C)(C)C3)n2)C2CC(C)(C)N(OCCC)C(C)(C)C2)C2CC(C)(C)N(OCCC)C(C)(C)C2)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.30
▸ EHMT1 Q9H9B1 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
SCHEMBL444921 1.00 CRHR1 (0.33) CRHR1EHMT2EHMT1
SCHEMBL13934752 0.99 CRHR1 (0.32) CRHR1
SCHEMBL12937093 0.99 CRHR1 (0.33) CRHR1
SCHEMBL19342612 0.98 CRHR1 (0.32) CRHR1EHMT2EHMT1
SCHEMBL9926864 0.98 CRHR1 (0.34) CRHR1
SCHEMBL18270306 0.97 CRHR1 (0.31) CRHR1
SCHEMBL12316051 0.96 CRHR1 (0.39) CRHR1
SCHEMBL19829447 0.96 CRHR1 (0.31) CRHR1
SCHEMBL12100658 0.95 — —
SCHEMBL14282030 0.95 CRHR1 (0.32) CRHR1EHMT2EHMT1

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-20120145241-A1 PHOTOVOLTAIC MODULE WITH STABILIZED POLYMERIC ENCAPSULANT BASF SE (DE) 2012-06-14 — — US disclosed