SCHEMBL8551899

SCHEMBL8551899

COc1cccc(NC(C)C)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
PABPC1 P11940 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NFE2L2 Q16236 6/20 0.44
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
CRHR2 Q13324 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL5288288 0.82 LMNA (0.46) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL1644887 0.82 ALDH1A1 (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11523814 0.80 IDO1 (0.42) NPC1PABPC1RAB9AL3MBTL1NFE2L2
SCHEMBL1114390 0.80 KMT2A (0.45) NPC1RAB9ANFE2L2BRD4LMNA
SCHEMBL21965754 0.79 NR4A2 (0.43) NPC1RAB9AL3MBTL1NFE2L2SMN1; SMN2
SCHEMBL18540802 0.79 IDO1 (0.49) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL12730445 0.79 ALDH1A1 (0.42) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL2089084 0.78 SMN1; SMN2 (0.47) NPC1PABPC1RAB9AL3MBTL1NFE2L2
SCHEMBL8029352 0.76 NPC1 (0.45) NPC1PABPC1RAB9AL3MBTL1NFE2L2
SCHEMBL2089081 0.76 NPC1 (0.45) NPC1PABPC1RAB9AL3MBTL1NFE2L2

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
US-5780245-A SEROTONIN AGONISTS AND ANTAGONISTS; TREATMENT OF CARDIOVASCULAR DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-07-14 US disclosed
EP-0665885-A1 POLYPEPTIDES (5HT2C) HAVING A SEROTONINERGIC RECEPTOR ACTIVITY AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1995-08-09 EP disclosed
WO-1994009130-A1 POLYPEPTIDES (5HT2C) HAVING A SEROTONINERGIC RECEPTOR ACTIVITY AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-04-28 WO disclosed