SCHEMBL27516586

SCHEMBL27516586

O=C(O)c1cccc(Cc2nnc(CCO)o2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ NPC1 O15118 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ FOLH1 Q04609 3/20 0.46
▸ HPGD P15428 2/20 0.45
▸ TTR P02766 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PIK3CG P48736 1/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL334419 0.77 CYP4F2 (0.64) FOLH1KMT2ATDP1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL11527299 0.75 CYP4F2 (0.62) FOLH1KMT2ATDP1CYP4F2CYP4A11
SCHEMBL27515542 0.75 FOLH1 (0.46) RAB9ASMN1; SMN2RXFP1NPC1FOLH1
SCHEMBL30791058 0.75 FOLH1 (0.70) FOLH1KMT2ACA1CA2CA9
SCHEMBL70351 0.75 FOLH1 (0.70) FOLH1KMT2ACA1CA2CA9
SCHEMBL27500508 0.75 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2RXFP1NPC1L3MBTL1
SCHEMBL2438255 0.74 HPGD (0.72) RAB9ASMN1; SMN2RXFP1NPC1L3MBTL1
SCHEMBL2710881 0.74 RAB9A (0.51) RAB9ASMN1; SMN2RXFP1NPC1L3MBTL1
SCHEMBL27517650 0.74 KMO (0.54) RAB9ASMN1; SMN2RXFP1NPC1L3MBTL1
SCHEMBL1926951 0.71 FOLH1 (0.66) FOLH1KMT2ACA1CA2CA9

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
CN-1264825-C Dihydro-benzo [ b ] [1,4] diazepin * -2-one derivatives as mGluR2 antagonists II HOFFMANN LA ROCHE (CH) 2006-07-19 — — CN disclosed
CN-1535266-A Dihydro-benzo [b][1,4] diazepin-2-one derivatives as mglur 2 antagonists II - 2004-10-06 — — CN disclosed
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