SCHEMBL24989201

SCHEMBL24989201

C[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.69
DPP8 Q6V1X1 10/20 0.69
DPP9 Q86TI2 10/20 0.69
DPP7 Q9UHL4 10/20 0.69
FAP Q12884 8/20 0.69
TACR1 P25103 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ACE P12821 1/20 0.54

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
SCHEMBL8231277 0.92 DPP4 (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL16307728 0.87 DPP4 (0.69) DPP4DPP8DPP9DPP7FAP
SCHEMBL14985801 0.85 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL6162266 0.85 DPP4 (0.73) DPP4DPP8DPP9DPP7FAP
SCHEMBL6436643 0.84 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL3726264 0.84 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL31026624 0.84 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL3726263 0.84 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL5900809 0.84 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL7375090 0.84 ACE (0.70) DPP4DPP8DPP9DPP7FAP

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-2023014354-A1 METHODS FOR SELECTING AN INTRACRANIAL ATHEROSCLEROTIC DISEASE PATIENT FOR TREATMENT THE UNIVERSITY OF VERMONT AND STATE AGRICULTURE COLLEGE (US) 2023-02-09 WO disclosed