SCHEMBL7467887

SCHEMBL7467887

CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cccnc2N)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
PKM P14618 1/20 0.64
TP53 P04637 5/20 0.49
POLB P06746 1/20 0.49
GPR119 Q8TDV5 2/20 0.48
UTS2R Q9UKP6 1/20 0.48
LMNA P02545 3/20 0.47
TGFBR1 P36897 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL6981253 0.87 KDM4E (0.62) KDM4EPKMTP53POLBGPR119
SCHEMBL6980865 0.86 KDM4E (0.61) KDM4EPKMTP53POLBGPR119
SCHEMBL17796229 0.85 KDM4E (0.72) KDM4EPKMTP53GPR119UTS2R
SCHEMBL6984094 0.82 KDM4E (0.71) KDM4EPKMTP53GPR119LMNA
SCHEMBL5374692 0.82 GRIN2B (0.65)
SCHEMBL16097927 0.82 KDM4E (0.54) KDM4EPKMTP53POLBLMNA
SCHEMBL18228507 0.80 GPR119 (0.53) KDM4EPKMPOLBGPR119
SCHEMBL6979528 0.79 KDM4E (0.76) KDM4EPKMTP53GPR119
SCHEMBL17837745 0.79 GPR119 (0.55) KDM4EPKMPOLBGPR119
SCHEMBL6983073 0.79 KDM4E (0.65) KDM4EPKMPOLBGPR119

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
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-6107310-A PSYCHOLOGICAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2000-08-22 US 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-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed