SCHEMBL11903483

SCHEMBL11903483

C[C@H](COc1ccc([CH]CN)cc1)CC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 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
SCHEMBL15121577 0.89 FFAR1 (0.40) LMNATDP1CYP1A2ADRB2ADRB1
SCHEMBL15121643 0.80 KMT2A (0.39) LMNATDP1CYP1A2ADRB2ADRB1
SCHEMBL15121906 0.78 KMT2A (0.45) TDP1FFAR1GAAALDH1A1POLB
SCHEMBL11903579 0.75 GPR88 (0.39) LMNATDP1CYP1A2ADRB2ADRB1
SCHEMBL11903608 0.72 APP (0.40) LMNACYP1A2FFAR1GAAHTT
SCHEMBL11904813 0.72 GPR88 (0.37) LMNATDP1CYP1A2ADRB2ADRB1
SCHEMBL15121608 0.72 GPR88 (0.37) LMNATDP1CYP1A2ADRB2ADRB1
SCHEMBL2556114 0.70 ALDH1A1 (0.48) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL15335388 0.69 ALDH1A3 (0.50) LMNATDP1KDM4ECYP3A4TSHR
SCHEMBL5228349 0.69 ITGB3 (0.53) LMNATDP1CYP1A2ADRB2ADRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497271-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-30 — — US disclosed
EP-2486030-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-24 — — EP disclosed
EP-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 — — EP disclosed
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