SCHEMBL11903608

SCHEMBL11903608

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.40
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL15121635 0.84 CYP1A2 (0.39) APPLMNACYP1A2FFAR1PARP10
SCHEMBL15121577 0.83 FFAR1 (0.40) APPLMNACYP1A2FFAR1GAA
SCHEMBL11903579 0.76 GPR88 (0.39) LMNACYP1A2FFAR1GAAHTT
SCHEMBL15798252 0.75 MAPK1 (0.51) —
SCHEMBL6685868 0.73 ALDH1A1 (0.53) APPLMNA
SCHEMBL11903483 0.72 LMNA (0.41) LMNACYP1A2FFAR1PARP10GAA
SCHEMBL11903585 0.71 KCNH2 (0.41) PARP10
SCHEMBL11903445 0.69 GPR88 (0.37) APPLMNACYP1A2
SCHEMBL11903558 0.68 KMT2A (0.44) LMNAPARP10HTT
SCHEMBL11903612 0.67 FFAR1 (0.43) LMNACYP1A2FFAR1PARP10

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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