SCHEMBL9840551

SCHEMBL9840551

N#Cc1ccc(CNCCCN)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.44
MC5R P33032 2/20 0.44
MC3R P41968 1/20 0.44
CHEK1 O14757 9/20 0.44
KAT2B Q92831 1/20 0.38
NAMPT P43490 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
CXCR4 P61073 1/20 0.37
IL6 P05231 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CHRM2 P08172 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
OPRM1 P35372 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
SCHEMBL7992498 0.94 CHEK1 (0.42) MC4RMC5RMC3RCHEK1NAMPT
SCHEMBL7999494 0.85 CHEK1 (0.38) CHEK1NAMPTSCN8ACXCR4CHRM2
SCHEMBL7993913 0.81 CHEK1 (0.40) CHEK1NAMPTSCN8ACXCR4SLC40A1
SCHEMBL26469110 0.78 CHEK1 (0.41) CHEK1NAMPTSLC40A1EGLN1
SCHEMBL7992276 0.77 CHEK1 (0.48) MC4RMC5RMC3RCHEK1TLR7
SCHEMBL10483919 0.76 MC4R (0.47) MC4RMC5RMC3RCHEK1KAT2B
SCHEMBL10483916 0.76 MC4R (0.47) MC4RMC5RMC3RKAT2BCXCR4
SCHEMBL7992477 0.76 KDM4E (0.50) MC4RMC5RMC3RKAT2BCXCR4
SCHEMBL10483999 0.76 MC4R (0.47) MC4RMC5RMC3RKAT2BSCN8A
SCHEMBL9885618 0.76 SCN8A (0.55) MC4RMC5RMC3RKAT2BSCN8A

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-0212600-B1 NITROMETHYLENE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 1991-11-27 EP disclosed
US-4812454-A Nitromethylene derivatives and their use as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 US disclosed
US-4772620-A MITICIDES, PARASITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-20 US disclosed
EP-0212600-A2 Nitromethylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1987-03-04 EP disclosed