SCHEMBL6984094

SCHEMBL6984094

CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.71
PKM P14618 1/20 0.71
GPR119 Q8TDV5 2/20 0.55
USP30 Q70CQ3 1/20 0.52
KDR P35968 1/20 0.52
TP53 P04637 4/20 0.51
LMNA P02545 2/20 0.49
RORC P51449 1/20 0.49
TGFBR1 P36897 1/20 0.48
EPHX1 P07099 1/20 0.48
EPHX2 P34913 1/20 0.48
NAMPT P43490 1/20 0.48
GRIN2B Q13224 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL25195749 0.84 KDM4E (0.61) KDM4EPKMUSP30TP53RORC
SCHEMBL13391117 0.84 GPR119 (0.60) KDM4EPKMGPR119USP30KDR
SCHEMBL30740815 0.83 GPR119 (0.56) KDM4EPKMGPR119USP30KDR
SCHEMBL8063381 0.83 USP30 (0.68) GPR119USP30KDRLMNAEPHX1
SCHEMBL26131403 0.83 KDM4E (1.00) KDM4EPKMGPR119TP53TGFBR1
SCHEMBL3035919 0.82 GRIN2B (0.68) KDM4EPKMGPR119TGFBR1GRIN2B
SCHEMBL8206262 0.82 KDM4E (0.64) KDM4EPKMGPR119TP53RORC
SCHEMBL7467887 0.82 KDM4E (0.64) KDM4EPKMGPR119TP53LMNA
SCHEMBL22594810 0.81 KDM4E (0.59) KDM4EPKMGPR119LMNATGFBR1
SCHEMBL6981253 0.81 KDM4E (0.62) KDM4EPKMGPR119TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
EP-0876372-B1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL GMBH (DE) 2002-03-06 EP disclosed
CN-1071755-C Heterocyclylcarboxamide derivatives and their use as therapeutic agents KNOLL AG (DE) 2001-09-26 CN disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
CN-1190967-A Heterocyclylcarboxamide derivatives and their use as therapeutic agents KNOLL AG (DE) 1998-08-19 CN disclosed
EP-0840763-A1 CROSS-LINKED ELASTOMER CAPABLE OF THERMOPLASTIC TRANSFORMATION, METHOD OF MANUFACTURE AND USES THEREOF HUTCHINSON (FR) 1998-05-13 EP disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997044390-A1 CROSS-LINKED ELASTOMER CAPABLE OF THERMOPLASTIC TRANSFORMATION, METHOD OF MANUFACTURE AND USES THEREOF HUTCHINSON (FR) 1997-11-27 WO disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed