SCHEMBL8131908

SCHEMBL8131908

O=C(NCCc1ccccc1)Nc1cc(CO)cc(CO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
CNR1 P21554 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
KMT2A Q03164 1/20 0.62
EPHX1 P07099 3/20 0.59
KDM4E B2RXH2 1/20 0.59
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
CA2 P00918 4/20 0.57
ROCK2 O75116 2/20 0.57
ROCK1 Q13464 2/20 0.57
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA9 Q16790 3/20 0.56
FPR2 P25090 1/20 0.55
PRMT3 O60678 1/20 0.54
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL4606056 0.84 EPHX1 (0.81) NPC1RAB9ACNR1SMN1; SMN2MEN1
SCHEMBL2827311 0.81 KMT2A (0.72) NPC1RAB9ACNR1SMN1; SMN2MEN1
SCHEMBL14434544 0.79 CNR1 (0.68) NPC1RAB9ACNR1SMN1; SMN2MEN1
SCHEMBL4351660 0.79 NPC1 (0.59) NPC1RAB9ACNR1SMN1; SMN2MEN1
SCHEMBL4351106 0.79 CNR1 (0.68) NPC1RAB9ACNR1SMN1; SMN2MEN1
SCHEMBL4347762 0.79 NPC1 (0.59) NPC1RAB9ACNR1SMN1; SMN2MEN1
SCHEMBL8120676 0.79 HDAC1 (0.62) NPC1RAB9ACNR1SMN1; SMN2MEN1
SCHEMBL1204443 0.78 KMT2A (0.69) NPC1RAB9ACNR1SMN1; SMN2MEN1
SCHEMBL6032606 0.78 EPHX1 (0.85) NPC1RAB9ACNR1SMN1; SMN2MEN1
SCHEMBL14470502 0.78 PRMT3 (0.74) NPC1RAB9ACNR1SMN1; SMN2MEN1

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