SCHEMBL5011250

SCHEMBL5011250

Cc1ccc(C2=NOC3(CCN(OC(=S)NCC4CCCCC4)CC3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
CNR1 P21554 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.35
SSTR3 P32745 1/20 0.35

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
SCHEMBL5015734 0.91 KMT2A (0.44) KMT2AMEN1
SCHEMBL5015792 0.90 POLB (0.40) KMT2ARAB9AMEN1
SCHEMBL5012239 0.90 KMT2A (0.37) KMT2AMEN1
SCHEMBL5015803 0.88 KMT2A (0.34) KMT2AMEN1
SCHEMBL5121433 0.87 ALDH1A1 (0.40) KMT2ACNR1NPC1RAB9AMMP13
SCHEMBL5054417 0.85 NPC1 (0.39) KMT2ACNR1NPC1RAB9AMEN1
SCHEMBL5012874 0.85 NPC1 (0.39) KMT2ACNR1NPC1RAB9AMEN1
SCHEMBL5011473 0.84 NPC1 (0.39) KMT2ANPC1RAB9AMEN1
SCHEMBL5011231 0.79 KMT2A (0.43) KMT2ANPC1RAB9AMEN1
SCHEMBL5015753 0.78 RAB9A (0.41) KMT2ACNR1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed