SCHEMBL10048341

SCHEMBL10048341

CCn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.71
▸ FAP Q12884 5/20 0.59
▸ POU2F2 P09086 1/20 0.59
▸ ADORA3 P0DMS8 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ POU2F1 P14859 1/20 0.59
▸ CHRM3 P20309 1/20 0.59
▸ HRH2 P25021 1/20 0.59
▸ MC4R P32245 1/20 0.59
▸ DPP8 Q6V1X1 1/20 0.59
▸ DPP9 Q86TI2 1/20 0.59
▸ GHSR Q92847 1/20 0.59

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
SCHEMBL16391894 0.92 DPP4 (0.73) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL14935777 0.92 DPP4 (0.83) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL29576288 0.92 DPP4 (0.83) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL639988 0.92 DPP4 (0.83) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL637493 0.92 DPP4 (0.83) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL16392281 0.92 DPP4 (0.68) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL636708 0.92 DPP4 (0.67) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL6239201 0.92 DPP4 (0.67) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL3969508 0.86 DPP4 (0.80) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL3972211 0.86 DPP4 (0.80) DPP4FAPPOU2F2ADORA3CHRM1

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
WO-2014059938-A1 METHOD FOR PREPARING IMPORTANT INTERMEDIATE OF LINAGLIPTIN 药源药物化学(上海)有限公司 (CN) 2014-04-24 — — WO disclosed
EP-2468749-A1 Process for the preparation of Linagliptin Dipharma Francis S.r.l. (IT) 2012-06-27 — — EP disclosed
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