SCHEMBL7490791

SCHEMBL7490791

CCOC(=O)C(C#N)=C(NCC1CN(Cc2ccc(F)cc2)CCO1)NC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADRA2B P18089 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
DRD4 P21917 5/20 0.43
CCR3 P51677 2/20 0.41
CNR1 P21554 6/20 0.40

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
SCHEMBL7499277 0.90 MEN1 (0.54) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7499283 0.90 MEN1 (0.54) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7494860 0.86 MEN1 (0.49) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7494865 0.86 MEN1 (0.49) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7497398 0.85 DRD3 (0.49) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7497553 0.85 MEN1 (0.49) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7497556 0.85 MEN1 (0.49) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7494640 0.84 DRD4 (0.45) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7492746 0.84 DRD4 (0.51) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7492750 0.84 DRD4 (0.51) KMT2AMEN1LMNACYP1A2CYP3A4

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-0760362-B1 DIAMINOMETHYLIDENE DERIVATIVE NISSHIN SEIFUN GROUP INC (JP) 2002-08-14 EP disclosed
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
WO-1998005651-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYL QUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1998-02-12 WO disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed