SCHEMBL9238392

SCHEMBL9238392

O=C(O)C(CCc1ccccc1)NCCc1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GGT1 P19440 1/20 0.47
▸ MME P08473 2/20 0.43
▸ ACE P12821 3/20 0.42
▸ AKR1B1 P15121 2/20 0.38
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ GPR142 Q7Z601 1/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ GPR132 Q9UNW8 2/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL9239495 0.87 SMN1; SMN2 (0.43) ACECTSSCTSKCTSL
SCHEMBL1667207 0.86 GGT1 (0.42) GGT1MMEACEGPR142
SCHEMBL1667210 0.86 GGT1 (0.42) GGT1MMEACEGPR142
SCHEMBL5870219 0.82 MME (0.59) MMEACECPA1ACE2
SCHEMBL8249923 0.82 MME (0.59) MMEACECPA1ACE2
SCHEMBL9237438 0.82 MASP2 (0.40) —
SCHEMBL27776883 0.79 GPR142 (0.39) GPR142
SCHEMBL7622435 0.78 CTSC (0.42) CTSSCTSK
SCHEMBL3217867 0.78 CTSC (0.42) CTSSCTSK
SCHEMBL5870183 0.78 CPB2 (0.39) —

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
EP-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 — — EP disclosed
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