SCHEMBL5012775

SCHEMBL5012775

CC(C)(C)c1ccc(C2=NOC3(CCN(OC(=O)Nc4cccc(Br)c4)CC3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 6/20 0.37
POLB P06746 5/20 0.37
ATM Q13315 3/20 0.37
RECQL P46063 4/20 0.37
PKM P14618 3/20 0.37
DNMT1 P26358 3/20 0.37
CTDSP1 Q9GZU7 3/20 0.37
APAF1 O14727 2/20 0.37
MCL1 Q07820 2/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CACNA1B Q00975 3/20 0.37
APBA1 Q02410 3/20 0.37
KDM4E B2RXH2 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL5015744 0.91 MGLL (0.39) CA1CA2L3MBTL1KMT2AMAPT
SCHEMBL5012844 0.90 KMT2A (0.40) KMT2AMAPTTDP1POLBATM
SCHEMBL5011200 0.90 CA1 (0.40) CA1CA2MAPTTDP1POLB
SCHEMBL5012284 0.90 MAPT (0.42) CA1CA2KMT2AMAPTTP53
SCHEMBL5014531 0.89 FAAH (0.41) KMT2ATDP1POLBRECQLCTDSP1
SCHEMBL16175713 0.89 CA1 (0.44) CA1CA2L3MBTL1KMT2ATDP1
SCHEMBL5012726 0.89 MAPT (0.47) KMT2AMAPTTP53TDP1POLB
SCHEMBL5012924 0.89 GRIN2B (0.42) KMT2AMAPTTP53TDP1POLB
SCHEMBL5012817 0.88 FAAH (0.39) L3MBTL1KMT2AMAPTNPC1
SCHEMBL5012238 0.88 POLB (0.40) L3MBTL1KMT2AMAPTTDP1POLB

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