SCHEMBL11903577

SCHEMBL11903577

CC[C@H](C)COc1ccc([C@H](C(N)=O)N2CCN(C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
GPR88 Q9GZN0 12/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
DRD3 P35462 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL27871559 0.81 FFAR1 (0.46) FFAR1GPR88KDM4EGLAALDH1A1
SCHEMBL27887834 0.81 FFAR1 (0.46) FFAR1GPR88KDM4EGLAALDH1A1
SCHEMBL27871560 0.81 FFAR1 (0.46) FFAR1GPR88KDM4EGLAALDH1A1
SCHEMBL1553939 0.80 KDM4E (0.45) FFAR1GPR88KDM4EGLAALDH1A1
SCHEMBL2498164 0.79 FFAR1 (0.48) FFAR1GPR88KDM4EGLACHRM1
SCHEMBL2498163 0.79 FFAR1 (0.48) FFAR1GPR88KDM4EGLACHRM1
SCHEMBL27871564 0.77 FFAR1 (0.41) FFAR1GPR88KDM4EGLAALDH1A1
SCHEMBL11903485 0.75 FFAR1 (0.58) FFAR1GPR88ALDH1A1
SCHEMBL2501596 0.74 KDM4E (0.53) FFAR1GPR88KDM4EGLAALDH1A1
SCHEMBL2501600 0.74 KDM4E (0.53) FFAR1GPR88KDM4EGLAALDH1A1

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