SCHEMBL11903579

SCHEMBL11903579

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 9/20 0.39
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ GAA P10253 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
SCHEMBL15121577 0.86 FFAR1 (0.40) GPR88LMNATDP1CYP1A2ADRB2
SCHEMBL15134967 0.81 GPR88 (0.36) GPR88
SCHEMBL26205631 0.80 MAPT (0.44) GPR88LMNATDP1CYP1A2ADRB2
SCHEMBL27015262 0.77 GPR88 (0.40) GPR88LMNATDP1CYP1A2ADRB2
SCHEMBL26206414 0.76 LMNA (0.54) LMNAKDM4EFFAR1
SCHEMBL11903608 0.76 APP (0.40) LMNACYP1A2FFAR1GAAHTT
SCHEMBL11903483 0.75 LMNA (0.41) GPR88LMNATDP1CYP1A2ADRB2
SCHEMBL26205639 0.75 GPR88 (0.36) GPR88LMNATDP1CYP1A2ADRB2
SCHEMBL15798252 0.75 MAPK1 (0.51) TDP1KDM4EBLM
SCHEMBL26206459 0.72 FFAR1 (0.47) LMNAFFAR1

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
Send feedback