SCHEMBL28809785

SCHEMBL28809785

CC1(C)CCC(n2cccc2Cl)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 3/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ DRD2 P14416 5/20 0.33
▸ DRD4 P21917 5/20 0.33
▸ DRD3 P35462 5/20 0.33
▸ SPR P35270 1/20 0.32
▸ DHODH Q02127 3/20 0.32

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
SCHEMBL28810670 0.80 DHODH (0.33) OPRL1OPRM1DRD2DRD4DRD3
SCHEMBL28810746 0.79 DHODH (0.32) OPRL1OPRM1DRD2DRD4DRD3
SCHEMBL28809781 0.76 ABCB1 (0.31) OPRL1OPRM1DHODH
SCHEMBL28810622 0.72 LMNA (0.32) OPRL1DHODH
SCHEMBL28810617 0.69 ABCB1 (0.33) DRD2DRD4DRD3
SCHEMBL28810629 0.68 DHODH (0.32) DHODH
SCHEMBL28809774 0.68 CPB1 (0.32) DRD2DRD4DRD3
SCHEMBL28809727 0.67 DHODH (0.31) DHODH
SCHEMBL28810607 0.66 SPR (0.32) SPR
SCHEMBL19132750 0.62 RECQL (0.57) —

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-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 — — CN disclosed
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