SCHEMBL31222650

SCHEMBL31222650

C[C@H](NC1(c2ccccc2)CN([C@@H](C)C(=O)O)CN([C@@H](C)C(=O)O)C1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
CYP2D6 P10635 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
SLC6A9 P48067 1/20 0.34
OPRM1 P35372 3/20 0.34
OPRL1 P41146 3/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL6334775 0.80 ALDH1A1 (0.43) MMP1MMP2MMP9OPRM1OPRL1
Hydrochloric Acid SCHEMBL6329702 0.79 ALDH1A1 (0.42) SMN1; SMN2MMP1MMP2MMP9OPRM1
SCHEMBL28320698 0.75 SSTR4 (0.46) SMN1; SMN2HDAC3HDAC4HDAC1HDAC2
SCHEMBL28324849 0.70 KDM1A (0.44) CYP2D6OPRM1OPRL1POLBHDAC3
SCHEMBL1287520 0.69 OPRL1 (0.41) SMN1; SMN2MMP1MMP2MMP9OPRM1
SCHEMBL31222601 0.65 RAB9A (0.34) SLC6A9
SCHEMBL16311736 0.65 RAB9A (0.34) SLC6A9
SCHEMBL7521342 0.64 KIF11 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL12862918 0.63 TACR1 (0.46) MMP1MMP2MMP9OPRM1OPRL1
SCHEMBL14671980 0.63 POLB (0.63) SMN1; SMN2CYP2D6OPRM1OPRL1POLB

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-4610269-A1 UROKINASE PLASMINOGEN ACTIVATOR SURFACE RECEPTOR (UPAR) LIGANDS FOR DIAGNOSTIC OR THERAPEUTIC USE 3B Pharmaceuticals GmbH (DE) 2025-09-03 EP disclosed
EP-4455159-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS WITH BIO-DISTRIBUTION MODIFIER 3B Pharmaceuticals GmbH (DE) 2024-10-30 EP disclosed