SCHEMBL9800536

SCHEMBL9800536

NCC(=O)[C@@H](C(=O)O)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.43
▸ POLB P06746 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRM8 O00222 1/20 0.40
▸ GRM7 Q14831 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ CNR1 P21554 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ CPN1 P15169 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34
▸ BLM P54132 3/20 0.33
▸ PMP22 Q01453 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NFKB1 P19838 2/20 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
SCHEMBL9800537 1.00 SRC (0.43) SRCPOLBTDP1SMN1; SMN2GRM8
SCHEMBL11155958 0.83 SRC (0.61) SRCPOLBTDP1SMN1; SMN2GRM8
SCHEMBL3539998 0.78 SRC (0.54) SRCPOLBTDP1SMN1; SMN2GRM8
SCHEMBL11150085 0.76 SRC (0.46) SRCPOLBTDP1SMN1; SMN2GRM8
SCHEMBL8672582 0.76 SRC (0.46) SRCPOLBTDP1SMN1; SMN2GRM8
SCHEMBL11150081 0.76 SRC (0.46) SRCPOLBTDP1SMN1; SMN2GRM8
SCHEMBL9524800 0.75 MAPT (0.44) MAPTLMNAALDH1A1
SCHEMBL8475858 0.73 LMNA (0.51) SRCSMN1; SMN2KDM4EMAPTLMNA
SCHEMBL9300518 0.72 ALDH1A1 (0.47) SRCSMN1; SMN2CNR2CNR1KDM4E
SCHEMBL9397132 0.72 CNR2 (0.43) SRCPOLBTDP1SMN1; SMN2GRM8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230037-B1 CYTOPROTECTIVE DERIVATIVES USEFUL IN ISCHEMIC DISEASES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM ITALFARMACO S.p.A. (IT) 1991-03-06 — — EP disclosed
US-4789681-A CARDIOPROTECTIVE AGENTS ITALFARMACO S.P.A. (IT) 1988-12-06 — — US disclosed
EP-0230037-A1 Cytoprotective derivatives useful in ischemic diseases, their preparation and compositions containing them ITALFARMACO S.p.A. (IT) 1987-07-29 — — EP disclosed
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