SCHEMBL27639293

SCHEMBL27639293

O=C(NCCN1CCCCC1)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 12/20 0.59
GABRB2 P47870 12/20 0.59
DPP4 P27487 1/20 0.53
DPP8 Q6V1X1 1/20 0.53
OPRL1 P41146 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL4509614 0.83 CNR1 (0.68) GABRA2GABRB2
SCHEMBL24208917 0.81 GABRA2 (0.55) GABRA2GABRB2OPRL1
SCHEMBL24208909 0.74 GABRA2 (0.52) GABRA2GABRB2
SCHEMBL4501027 0.73 GABRA2 (0.65) GABRA2GABRB2OPRL1
SCHEMBL4510979 0.72 GABRA2 (1.00) GABRA2GABRB2
SCHEMBL14621770 0.70 CNR1 (0.61) DPP4DPP8ALDH1A1
SCHEMBL14329888 0.70 ALDH1A1 (0.94) ALDH1A1
SCHEMBL8259356 0.69 DPP4 (1.00) DPP4DPP8
SCHEMBL6701268 0.69 CNR1 (0.72)
SCHEMBL4020434 0.69 CNR1 (0.48)

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
CN-1865248-A Imidazole-4-carboxamide derivatives, preparation and use thereof for treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2006-11-22 CN disclosed