SCHEMBL20041946

SCHEMBL20041946

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ncccc1C(=O)OC)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
CHRM1 P11229 3/20 0.66

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
SCHEMBL20041939 1.00 DPP4 (1.00) DPP4CHRM1
SCHEMBL20248001 0.92 DPP4 (0.85) DPP4CHRM1
SCHEMBL20041921 0.87 DPP4 (0.77) DPP4
SCHEMBL30692271 0.87 DPP4 (0.77) DPP4
SCHEMBL497393 0.86 DPP4 (0.81) DPP4CHRM1
Water SCHEMBL14698370 0.86 DPP4 (0.81) DPP4CHRM1
SCHEMBL196624 0.86 DPP4 (0.81) DPP4CHRM1
Water SCHEMBL14698371 0.86 DPP4 (0.81) DPP4CHRM1
SCHEMBL196623 0.86 DPP4 (0.81) DPP4CHRM1
Hydrochloric Acid SCHEMBL15049683 0.85 DPP4 (0.80) DPP4CHRM1

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-3305787-B1 XANTHINE DERIVATIVE JIANGSU TASLY DIYI PHARMACEUTICAL CO LTD (CN) 2022-02-16 EP disclosed
EP-3305787-A1 XANTHINE DERIVATIVE Jiangsu Tasly Diyi Pharmaceutical Co., Ltd. (CN) 2018-04-11 EP disclosed