SCHEMBL9960641

SCHEMBL9960641

Cc1ccc(-c2ccccn2)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C3C2)c1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.46
HCRTR1 O43613 7/20 0.45
HCRTR2 O43614 7/20 0.45
SPR P35270 5/20 0.44
USP30 Q70CQ3 2/20 0.43
MMP13 P45452 1/20 0.38

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
SCHEMBL9960638 1.00 GPR119 (0.46) GPR119HCRTR1HCRTR2SPRUSP30
SCHEMBL9955954 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL9954840 0.83 HCRTR1 (0.53) GPR119HCRTR1HCRTR2SPRUSP30
SCHEMBL9960673 0.83 HCRTR1 (0.53) GPR119HCRTR1HCRTR2SPRUSP30
SCHEMBL9960725 0.81 HCRTR1 (0.49) HCRTR1HCRTR2SPR
SCHEMBL9956100 0.81 HCRTR1 (0.49) HCRTR1HCRTR2SPR
SCHEMBL9959143 0.80 SPR (0.46) GPR119HCRTR1HCRTR2SPRUSP30
SCHEMBL9957879 0.78 GPR119 (0.50) GPR119HCRTR1HCRTR2SPRUSP30
Hydrochloric Acid SCHEMBL9960672 0.77 HCRTR1 (0.46) HCRTR1HCRTR2SPR
Hydrochloric Acid SCHEMBL9960679 0.77 HCRTR1 (0.46) HCRTR1HCRTR2SPR

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
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed