SCHEMBL4618374

SCHEMBL4618374

Cc1ccc(CNCCN)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
CXCR4 P61073 2/20 0.39
CHRM2 P08172 2/20 0.39
HTR1A P08908 12/20 0.38
ADORA2A P29274 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL10483888 0.93 IL6 (0.41) NOS3NOS2CXCR4CHRM2HTR1A
SCHEMBL14477280 0.89 CCR1 (0.43) NOS3NOS2CXCR4CHRM2HTR1A
SCHEMBL19865657 0.81 CHRM2 (0.46) CXCR4CHRM2SCN8A
SCHEMBL6206213 0.79 CXCR4 (0.46) CXCR4CHRM2HTR1A
SCHEMBL14665823 0.79 L3MBTL1 (0.42) HTR1ASCN8ADRD2DRD4DRD3
SCHEMBL16268968 0.79 TERT (0.41) HTR1ACCR1CCR5CCR8HDAC6
SCHEMBL10483930 0.79 MAOB (0.49) CXCR4CHRM2HTR1A
SCHEMBL10864962 0.79 FERMT2 (0.39) CXCR4CHRM2ADORA2ASCN8A
SCHEMBL28399733 0.79 GBA1 (0.39) CXCR4CHRM2
SCHEMBL20482981 0.78 HTR1A (0.44) CHRM2HTR1AADORA2AHDAC6

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101484544-B Liquid hardening OMG UK TECHNOLOGY LTD 2013-11-06 CN claimed
CN-102906176-A Curing liquids OMG ADDITIVES LTD 2013-01-30 CN claimed
CN-101484544-A Liquid hardening UNILEVER PLC (NL) 2009-07-15 CN claimed
JP-6172346-A None JP disclosed
CN-101484544-B Liquid hardening OMG UK TECHNOLOGY LTD 2013-11-06 CN disclosed
CN-102906176-A Curing liquids OMG ADDITIVES LTD 2013-01-30 CN disclosed
CN-101484544-A Liquid hardening UNILEVER PLC (NL) 2009-07-15 CN disclosed
EP-1885830-A2 DETERGENT COMPOSITIONS AND THEIR USE Unilever PLC (GB) 2008-02-13 EP disclosed
WO-2006128525-A2 DETERGENT COMPOSITIONS AND THEIR USE UNILEVER PLC (GB) 2006-12-07 WO disclosed
EP-1711652-A1 METHOD OF LAUNDRY WASHING UNILEVER N.V. (NL) 2006-10-18 EP disclosed
EP-1699703-A1 FOAM DISPENSER Unilever Plc (GB) 2006-09-13 EP disclosed
WO-2001016268-A1 METHOD OF PRETREATING AND BLEACHING STAINED FABRICS UNILEVER PLC (GB) 2001-03-08 WO disclosed
WO-2001016269-A1 METHOD OF BLEACHING STAINED FABRICS UNILEVER PLC (GB) 2001-03-08 WO disclosed
WO-2001016271-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-03-08 WO disclosed
JP-H06172346-A INSECTICIDAL NITROMETHYLENE DERIVATIVE NIPPON BAYERAGROCHEM KK 1994-06-21 JP disclosed
US-4812571-A NITROMETHYLENE COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 US disclosed
US-4774247-A Nitromethylene derivative insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-27 US disclosed
US-4678795-A 1-pyridylmethyl-2-nitromethylene-1,3-diazacycloalkane insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-07-07 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed
EP-0163855-A1 Nitromethylene derivatives, intermediates, and process for their preparation as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-12-11 EP disclosed