SCHEMBL8350985

SCHEMBL8350985

N#CC(CCOC1CCCCO1)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.49
SLC6A3 Q01959 5/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR1 P32246 2/20 0.37
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
CA1 P00915 1/20 0.32
MET P08581 2/20 0.32

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
SCHEMBL5199433 0.83 KDM4C (0.38) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL7674634 0.83 L3MBTL1 (0.40) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL4630703 0.83 SLC6A3 (0.45) KDM4CSLC6A3NPC1RAB9AL3MBTL1
SCHEMBL13801032 0.83 KDM4C (0.52) KDM4CSLC6A3NPC1RAB9AL3MBTL1
SCHEMBL7676368 0.81 MEN1 (0.38) KDM4CSLC6A3NPC1RAB9AL3MBTL1
SCHEMBL3466586 0.81 L3MBTL1 (0.38) KDM4CSLC6A3NPC1RAB9AL3MBTL1
SCHEMBL4631262 0.77 SLC6A3 (0.43) KDM4CSLC6A3NPC1RAB9AL3MBTL1
SCHEMBL8486775 0.77 SLC6A3 (0.60) KDM4CSLC6A3NPC1RAB9AMEN1
SCHEMBL5874214 0.76 KDM4C (0.45) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL8120271 0.73 KDM4C (0.37) KDM4CNPC1RAB9AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
EP-0696280-B1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL PHARMA INC (US) 1997-09-24 EP disclosed
US-5661160-A ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM MERRELL PHARMACEUTICALS INC. (US) 1997-08-26 US disclosed
US-5648366-A TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1997-07-15 US disclosed
US-5635510-A TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 US disclosed
EP-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 WO disclosed