SCHEMBL16527140

SCHEMBL16527140

CCCC(=O)c1ccc2c(c1)C1CCC2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARG P13631 2/20 0.50
▸ RARB P10826 1/20 0.50
▸ HPGD P15428 5/20 0.48
▸ CHRNA1 P02708 1/20 0.48
▸ CHRNG P07510 1/20 0.48
▸ CHRNB1 P11230 1/20 0.48
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ CHRND Q07001 1/20 0.48
▸ HSD17B3 P37058 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ PDE4D Q08499 7/20 0.43
▸ PDE4A P27815 4/20 0.43
▸ PDE4B Q07343 4/20 0.43
▸ PDE4C Q08493 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 2/20 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
SCHEMBL15927479 0.87 RARG (0.52) RARGRARBHPGDCHRNA1CHRNG
SCHEMBL9586810 0.84 RARG (0.50) RARGRARBHPGDCHRNA1CHRNG
SCHEMBL23797248 0.81 RARG (0.49) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL15927449 0.81 RARG (0.49) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL10932919 0.78 CHRNB2 (0.73) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL14428708 0.77 HPGD (0.47) HPGDHSD17B3SMN1; SMN2GAAPDE4D
SCHEMBL9586643 0.77 RARG (0.49) RARGRARBHPGDCHRNA1CHRNG
SCHEMBL1782019 0.76 RARG (0.66) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL1422581 0.76 RARG (0.66) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL1782039 0.76 RARG (0.66) RARGRARBCHRNA1CHRNGCHRNB1

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
WO-2015025962-A1 AMIDINE COMPOUND OR SALT THEREOF 富山化学工業株式会社 (JP) 2015-02-26 — — WO disclosed
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