SCHEMBL13617941

SCHEMBL13617941

O=C(O)[C@H](Cc1c[nH]cn1)NC1CCNC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ ITGB3 P05106 8/20 0.31
▸ ITGA2B P08514 8/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ FPR3 P25089 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ CPB2 Q96IY4 2/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ CPN1 P15169 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ BPTF Q12830 2/20 0.30

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
SCHEMBL27777020 0.86 EPHX2 (0.37) CPB2
SCHEMBL29715079 0.85 EPHX2 (0.39) CPB2
SCHEMBL27756051 0.85 EPHX2 (0.39) CPB2
SCHEMBL2759042 0.77 CPB2 (0.33) CPB2
SCHEMBL3378642 0.75 CPB2 (0.34) CPB2
SCHEMBL3378638 0.75 CPB2 (0.34) CPB2
SCHEMBL669444 0.75 CPB2 (0.34) CPB2
SCHEMBL669445 0.75 CPB2 (0.34) CPB2
Hydrochloric Acid SCHEMBL30634622 0.75 CPB2 (0.34) CPB2
SCHEMBL27776882 0.74 SMN1; SMN2 (0.33) —

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-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 — — EP disclosed
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