SCHEMBL7426518

SCHEMBL7426518

CCC(C(=O)O)[C@H](N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
LMNA P02545 4/20 0.45
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41

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
SCHEMBL2298439 1.00 DPP4 (0.48) DPP4SLC1A3SLC1A2SLC1A1LMNA
Hydrochloric Acid SCHEMBL8538778 0.98 DPP4 (0.46) DPP4SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL8691399 0.85 ANPEP (0.51) MEN1KMT2A
SCHEMBL6539850 0.85 ESR1 (0.47) LMNACYP2D6SRCPTGS1SLC7A5
SCHEMBL830226 0.84 CYP2C9 (0.49) LMNACYP2D6POLBMEN1KMT2A
SCHEMBL22262278 0.84 ALDH1A1 (0.48) SLC1A3SLC1A2SLC1A1LMNAMEN1
SCHEMBL5006674 0.83 CPN1 (0.53) SLC1A3SLC1A2SLC1A1LMNA
Hydrochloric Acid SCHEMBL6779703 0.81 GRM8 (0.46) LMNAKMT2APKM
Hydrochloric Acid SCHEMBL6773597 0.81 GRM8 (0.46) LMNAKMT2APKM
SCHEMBL687445 0.78 LMNA (0.52) LMNACYP2D6SRCMEN1KMT2A

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-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
US-5721366-A PHENYLAMIDINE DERIVATIVES G. D. SEARLE & CO (US) 1998-02-24 US disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed