SCHEMBL167216

SCHEMBL167216

CC1(NCC(=O)N2CCCC2C#N)CCN(c2cc(C(=O)O)ccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 1.00
DPP8 Q6V1X1 2/20 1.00
DPP9 Q86TI2 2/20 1.00
PREP P48147 13/20 0.57
DPP7 Q9UHL4 1/20 0.46

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
SCHEMBL18175266 0.88 DPP4 (0.92) DPP4DPP8DPP9PREP
SCHEMBL13287073 0.88 DPP4 (0.92) DPP4DPP8DPP9PREP
SCHEMBL2742696 0.88 DPP4 (0.92) DPP4DPP8DPP9PREP
SCHEMBL13882110 0.88 DPP4 (0.92) DPP4DPP8DPP9PREP
Hydrochloric Acid SCHEMBL6698799 0.85 DPP4 (0.73) DPP4DPP8DPP9PREPDPP7
SCHEMBL2555136 0.84 DPP4 (1.00) DPP4DPP8DPP9PREP
SCHEMBL646974 0.84 DPP4 (1.00) DPP4DPP8DPP9PREP
SCHEMBL14641775 0.84 DPP4 (0.81) DPP4DPP8DPP9PREP
SCHEMBL8021363 0.84 DPP4 (0.81) DPP4DPP8DPP9PREP
SCHEMBL20162036 0.84 DPP4 (1.00) DPP4DPP8DPP9PREP

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
EP-2611782-A1 SALTS OF LORCASERIN WITH OPTICALLY ACTIVE ACIDS Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012170702-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed
WO-2012030938-A1 SALTS OF LORCASERIN WITH OPTICALLY ACTIVE ACIDS ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed