SCHEMBL19365835

SCHEMBL19365835

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1cccc(CN2CCOCC2)c1)C1CCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.53
▸ UBE2M P61081 10/20 0.47
▸ DCUN1D1 Q96GG9 10/20 0.47
▸ RHOA P61586 1/20 0.47
▸ THRB P10828 1/20 0.44
▸ TRPV4 Q9HBA0 3/20 0.43
▸ CASR P41180 1/20 0.43

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
SCHEMBL19365784 0.85 POLB (0.47) UBE2MDCUN1D1
SCHEMBL19364862 0.84 MAP4K4 (0.45) CNR2TRPV4
SCHEMBL19365722 0.82 POLB (0.41) UBE2MDCUN1D1
SCHEMBL19670560 0.81 POLB (0.47) RHOA
SCHEMBL19365571 0.81 MCHR1 (0.42) —
SCHEMBL19706120 0.81 POLB (0.45) UBE2MDCUN1D1
SCHEMBL19365306 0.81 POLB (0.44) UBE2MDCUN1D1
SCHEMBL19706137 0.80 MCHR1 (0.43) UBE2MDCUN1D1
SCHEMBL19365866 0.79 POLB (0.38) UBE2MDCUN1D1
SCHEMBL19365636 0.79 POLB (0.46) UBE2MDCUN1D1

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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