SCHEMBL11904813

SCHEMBL11904813

Cc1cc(OC[C@H](C)CC(N)=O)ccc1[CH]CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 5/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL15121608 1.00 GPR88 (0.37) GPR88KMT2ASMN1; SMN2MEN1PKM
SCHEMBL15121643 0.90 KMT2A (0.39) GPR88KMT2ASMN1; SMN2MEN1PKM
SCHEMBL15134967 0.88 GPR88 (0.36) GPR88KMT2ASMN1; SMN2MEN1PKM
SCHEMBL15121973 0.81 KMT2A (0.41) KMT2ASMN1; SMN2LMNATDP1
SCHEMBL15121577 0.80 FFAR1 (0.40) GPR88FFAR1GAAHTTITGB3
SCHEMBL11904852 0.75 TDP1 (0.35) GPR88SMN1; SMN2TDP1FKBP1A
SCHEMBL11903483 0.72 LMNA (0.41) GPR88FFAR1GAAHTTITGB3
SCHEMBL18343122 0.69 HSD17B10 (0.50) KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL11903585 0.68 KCNH2 (0.41) GPR88KDM4E
SCHEMBL11903579 0.68 GPR88 (0.39) GPR88FFAR1GAAHTTLMNA

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-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 — — EP disclosed
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