SCHEMBL5014517

SCHEMBL5014517

Cc1ccc(C2=NOC3(CCN(OC(=O)Nc4cccc(Cl)c4)CC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
APAF1 O14727 2/20 0.40
RECQL P46063 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PABPC1 P11940 1/20 0.40
GRK2 P25098 1/20 0.40
MCL1 Q07820 1/20 0.40
EIF4H Q15056 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
DNMT1 P26358 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL16175481 0.94 POLB (0.44) CA1CA2POLBTDP1APAF1
SCHEMBL5014484 0.92 ALDH1A1 (0.41) POLBTDP1APAF1RECQLMCL1
SCHEMBL16175545 0.92 CA1 (0.44) CA1CA2POLBTDP1APAF1
SCHEMBL5011290 0.91 POLB (0.43) POLBTDP1APAF1RECQLPABPC1
SCHEMBL5012284 0.90 MAPT (0.42) CA1CA2POLBTDP1APAF1
SCHEMBL16175773 0.89 CA1 (0.42) CA1CA2POLBTDP1APAF1
SCHEMBL16175594 0.89 KDM4E (0.41) POLBTDP1APAF1RECQLSMN1; SMN2
SCHEMBL5011233 0.89 KDM4E (0.41) POLBTDP1APAF1RECQLSMN1; SMN2
SCHEMBL5012913 0.89 KMT2A (0.44) POLBTDP1APAF1GRK2KMT2A
SCHEMBL5012723 0.89 MAPT (0.44) CA1CA2POLBTDP1APAF1

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