SCHEMBL7606324

SCHEMBL7606324

O=C(OCc1ccccc1)N1CCCC12CCCCC2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL30832481 0.99 MEN1 (0.50) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL21595431 0.89 NPC1 (0.46) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL24221032 0.89 MEN1 (0.53) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL18712918 0.87 RET (0.48)
SCHEMBL6515271 0.84 MEN1 (0.50) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL18705193 0.83
SCHEMBL73672 0.83 MEN1 (0.47) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL19011877 0.82 TSHR (0.44) MEN1KMT2ANPSR1
SCHEMBL536304 0.82 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL4814906 0.82 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002522389-A 2002-07-23 JP claimed
EP-1102590-A1 USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING OR PREVENTING ABNORMAL BONE RESORPTION MERCK SHARP & DOHME LTD. (GB) 2001-05-30 EP claimed
WO-2000007598-A1 USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING OR PREVENTING ABNORMAL BONE RESORPTION MERCK SHARP & DOHME LIMITED (GB) 2000-02-17 WO claimed
EP-1102590-A1 USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING OR PREVENTING ABNORMAL BONE RESORPTION MERCK SHARP & DOHME LTD. (GB) 2001-05-30 EP disclosed
EP-1079863-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LTD. (GB) 2001-03-07 EP disclosed
WO-2000007598-A1 USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING OR PREVENTING ABNORMAL BONE RESORPTION MERCK SHARP & DOHME LIMITED (GB) 2000-02-17 WO disclosed
WO-1999059635-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LIMITED (GB) 1999-11-25 WO disclosed