SCHEMBL31339177

SCHEMBL31339177

O=C(O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.51
▸ ITGB2 P05107 3/20 0.50
▸ ICAM1 P05362 3/20 0.50
▸ ITGAL P20701 3/20 0.50
▸ TRHR P34981 1/20 0.49
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ REN P00797 2/20 0.47
▸ SLC6A5 Q9Y345 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ SLC7A5 Q01650 1/20 0.45
▸ CTSC P53634 1/20 0.45
▸ CAPN1 P07384 1/20 0.44
▸ SLC15A2 Q16348 1/20 0.43

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
SCHEMBL29792521 1.00 EPHX2 (0.51) EPHX2ITGB2ICAM1ITGALTRHR
SCHEMBL31339185 1.00 EPHX2 (0.51) EPHX2ITGB2ICAM1ITGALTRHR
SCHEMBL9829697 0.83 EPHX2 (0.57) EPHX2ITGB2ICAM1ITGALTRHR
SCHEMBL27639586 0.82 TRHR (0.49) TRHRRENCAPN1
SCHEMBL27448784 0.82 TRHR (0.49) TRHRRENCAPN1
SCHEMBL9828553 0.82 EPHX2 (0.59) EPHX2ITGB2ICAM1ITGALTRHR
SCHEMBL27504185 0.81 TRHR (0.59) TRHRRENCAPN1
SCHEMBL27273945 0.78 CYP3A4 (0.50) RENCYP3A4SLC7A5
SCHEMBL21219550 0.77 TRHR (0.43) TRHRRENCAPN1
SCHEMBL21219553 0.77 REN (0.42) TRHRRENCAPN1

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-4516282-A1 NOVEL USES OF IMIDAZOLYL DERIVATIVES Exsymol (MC) 2025-03-05 — — EP disclosed
CN-119424238-A New use of imidazolyl derivatives 爱西美有限公司 2025-02-14 — — CN disclosed
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