SCHEMBL20056817

SCHEMBL20056817

CC(=N)/C=C(/NCC1CCCN1C)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCHR2 Q969V1 1/20 0.40
MCHR1 Q99705 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
KAT2B Q92831 1/20 0.38
CHRM3 P20309 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL8055430 0.78 EPHX1 (0.58) RAB9ASMN1; SMN2MCHR2MCHR1MEN1
SCHEMBL7106481 0.72 KAT2B (0.56) CHRNB2CHRNA5CHRNA7CHRNA4KAT2B
SCHEMBL13162978 0.72 KAT2B (0.56) CHRNB2CHRNA5CHRNA7CHRNA4KAT2B
SCHEMBL4443892 0.72 KAT2B (0.56) CHRNB2CHRNA5CHRNA7CHRNA4KAT2B
SCHEMBL8049469 0.71 CTSL (0.67) RAB9AMCHR2MCHR1CHRNB2CHRNA5
SCHEMBL16310962 0.68 EPHX1 (0.51) RAB9AMEN1KMT2AL3MBTL1
SCHEMBL22761843 0.68 CHRNB2 (0.47) CHRNB2CHRNA5CHRNA7CHRNA4KAT2B
SCHEMBL13220244 0.65 CXCR4 (0.50) CHRNB2CHRNA5CHRNA7CHRNA4KAT2B
SCHEMBL12506716 0.65 FAP (0.44) CHRNB2CHRNA5CHRNA7CHRNA4KAT2B
SCHEMBL29358366 0.65 CHRNB2 (0.44) RAB9ASMN1; SMN2CHRNB2CHRNA5CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 EP disclosed