SCHEMBL4437451

SCHEMBL4437451

CC(C)N1CCC(CCCCOc2ccc3c(c2)CCN(S(C)(=O)=O)C3)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.53
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MOGAT2 Q3SYC2 2/20 0.43
ACACB O00763 2/20 0.43
GPR119 Q8TDV5 3/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL3182393 0.86 GPR119 (0.58) HRH3ESR1ESR2ACACBGPR119
SCHEMBL4563873 0.85 MOGAT2 (0.54) ESR1ESR2MOGAT2
SCHEMBL4437579 0.83 ESR1 (0.49) HRH3ESR1ESR2MOGAT2ACACB
SCHEMBL3176556 0.83 GPR119 (0.54) HRH3GPR119
SCHEMBL3178450 0.82 HRH3 (0.55) HRH3ESR1ESR2MOGAT2
SCHEMBL3180488 0.82 HRH3 (0.53) HRH3ESR1ESR2MOGAT2ACACB
SCHEMBL4434244 0.81 HRH3 (0.53) HRH3ESR1ESR2MOGAT2ACACB
SCHEMBL4434575 0.81 ESR1 (0.42) HRH3ESR1ESR2MOGAT2ACACB
SCHEMBL4435108 0.80 S1PR5 (0.44) HRH3ACACBGPR119
SCHEMBL4437654 0.80 MCHR1 (0.49) ESR1ESR2MOGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO claimed