SCHEMBL8768034

SCHEMBL8768034

CCN(c1nnc(-c2ccccc2)c2ccccc12)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 2/20 0.38
GBA1 P04062 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2017611 0.78 S1PR1 (0.42) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL8905979 0.71 GBA1 (0.44) ALDH1A1MEN1KMT2ATP53GBA1
SCHEMBL11691432 0.70 L3MBTL1 (0.46) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL11069272 0.68 CHRM1 (0.46) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL8764326 0.68 ALDH1A1 (0.41) ALDH1A1GBA1NPC1RAB9AL3MBTL1
SCHEMBL4864061 0.67 HTT (0.60) NPSR1HTTALDH1A1MAPTMEN1
SCHEMBL27584294 0.66 NPC1 (0.36) ALDH1A1MAPTMEN1KMT2AGBA1
SCHEMBL4484272 0.64 ADH1C (0.41) NPSR1MEN1KMT2ATP53RAB9A
SCHEMBL4474636 0.64 ADH1C (0.41) NPSR1MEN1KMT2ATP53RAB9A
SCHEMBL16429035 0.64 IDO1 (0.43) NPSR1MAPTL3MBTL1

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-0682947-B1 Medicament for therapeutic and prophylactic treatment of diseases caused by smooth muscle cell hyperplasia MITSUBISHI CHEM CORP (JP) 1997-09-10 EP claimed
US-5643911-A CEREBROVASCULAR DISEASE MITSUBISHI CHEMICAL CORPORATION (JP) 1997-07-01 US claimed
EP-0682947-A1 Medicament for therapeutic and prophylactic treatment of diseases caused by smooth muscle cell hyperplasia Mitsubishi Chemical Corporation (JP) 1995-11-22 EP claimed
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 CN disclosed
EP-0682947-A1 Medicament for therapeutic and prophylactic treatment of diseases caused by smooth muscle cell hyperplasia Mitsubishi Chemical Corporation (JP) 1995-11-22 EP disclosed