SCHEMBL9078988

SCHEMBL9078988

CC(C)(C)ON(C=O)Cc1cccc(C(c2ccccc2)N2CCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ OPRM1 P35372 5/20 0.39
▸ CHRM2 P08172 3/20 0.39
▸ ADRA2A P08913 3/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ DRD1 P21728 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39

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
SCHEMBL7763429 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1LMNACYP2C19
SCHEMBL5968903 0.72 OPRD1 (0.37) OPRD1MEN1KMT2AALDH1A1POLB
SCHEMBL5968906 0.72 MEN1 (0.48) OPRD1MEN1KMT2ALMNAATM
SCHEMBL5969172 0.72 KMT2A (0.45) OPRD1MEN1KMT2AALDH1A1POLB
SCHEMBL4518626 0.71 HSD11B1 (0.38) ALDH1A1CYP3A4
SCHEMBL5663890 0.71 LOXL2 (0.38) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7662463 0.71 S1PR1 (0.39) —
SCHEMBL5969169 0.70 OPRD1 (0.35) OPRD1MEN1KMT2AALDH1A1POLB
SCHEMBL5968956 0.70 OPRM1 (0.50) OPRD1MEN1KMT2AALDH1A1OPRM1
SCHEMBL5968967 0.70 OPRM1 (0.47) OPRD1MEN1KMT2AALDH1A1OPRM1

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
EP-0701568-A1 NEW PEPTIDE DERIVATIVES Astra Aktiebolag (SE) 1996-03-20 — — EP disclosed
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