SCHEMBL7514543

SCHEMBL7514543

COC(=O)[C@H](Cc1ccccc1)NCc1ccc(C(=O)O)cc1N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.53
ITGA4 P13612 2/20 0.49
ITGB7 P26010 2/20 0.49
ERAP2 Q6P179 3/20 0.48
ERAP1 Q9NZ08 3/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
MEP1B Q16820 2/20 0.48
ATM Q13315 2/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ANPEP P15144 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7514551 1.00 LNPEP (0.53) LNPEPITGA4ITGB7ERAP2ERAP1
SCHEMBL7514776 0.92 LNPEP (0.52) LNPEPITGA4ITGB7ERAP2ERAP1
SCHEMBL7514782 0.92 LNPEP (0.52) LNPEPITGA4ITGB7ERAP2ERAP1
SCHEMBL5075625 0.81 ATM (0.59) ITGA4ITGB7GAARAB9AMEP1B
SCHEMBL2375646 0.78 ATM (0.68) ITGA4ITGB7GAARAB9AATM
SCHEMBL2375644 0.78 ATM (0.68) ITGA4ITGB7GAARAB9AATM
SCHEMBL3959739 0.78 ATM (0.68) ITGA4ITGB7GAARAB9AATM
SCHEMBL7513005 0.77 LNPEP (0.52) LNPEPERAP2ERAP1GAARAB9A
SCHEMBL7513015 0.77 LNPEP (0.52) LNPEPERAP2ERAP1GAARAB9A
Hydrochloric Acid SCHEMBL17822192 0.77 ATM (0.67) ITGA4ITGB7GAARAB9AATM

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
US-20020032262-A1 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds ZHANG JINFANG (US) 2002-03-14 US disclosed