SCHEMBL8129745

SCHEMBL8129745

CCOC(=O)c1cccc(NC(=O)c2cccc(CCN)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.64
▸ NPC1 O15118 8/20 0.64
▸ MAPT P10636 8/20 0.61
▸ SMN1; SMN2 Q16637 7/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ POLB P06746 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ KMT2A Q03164 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ HSD17B10 Q99714 1/20 0.58
▸ CYP4F2 P78329 1/20 0.56
▸ CYP4A11 Q02928 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HPGD P15428 2/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL6873612 0.87 CYP4F2 (0.71) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8385928 0.86 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11576713 0.86 CYP4F2 (0.69) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6793571 0.82 RAB9A (0.76) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6028173 0.80 RAB9A (0.66) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9235167 0.80 MEN1 (0.52) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL28280189 0.79 CYP4F2 (0.76) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9445241 0.79 RAB9A (0.75) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12569392 0.78 MAPK1 (0.59) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL14111901 0.78 RAB9A (0.67) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 — — EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 — — US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 — — US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 — — EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 — — WO disclosed
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