SCHEMBL28539044

SCHEMBL28539044

OS1(O)Nc2ccccc2N1C1CCN(c2[c]cc(C(F)(F)F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 9/20 0.38
▸ OPRM1 P35372 2/20 0.35

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
SCHEMBL28533101 0.71 GPBAR1 (0.39) —
SCHEMBL28527744 0.70 IDH2 (0.40) —
SCHEMBL3277487 0.70 SCN10A (0.37) —
SCHEMBL28538545 0.69 SCD (0.39) —
SCHEMBL28523900 0.68 SMN1; SMN2 (0.53) OPRL1OPRM1
SCHEMBL330029 0.67 ALDH1A1 (0.43) —
SCHEMBL2748410 0.66 ALDH1A1 (0.46) —
SCHEMBL28522044 0.66 NOD1 (0.45) OPRL1OPRM1
SCHEMBL18919672 0.65 OPRL1 (0.44) OPRL1OPRM1
SCHEMBL18919670 0.65 OPRL1 (0.44) OPRL1OPRM1

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-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
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