SCHEMBL4069562

SCHEMBL4069562

Cn1ccc(NC(=O)CN2C(=O)C(C(N)=O)Cc3ccccc32)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOTUM Q6P988 1/20 0.41
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AADAT Q8N5Z0 2/20 0.37
GOT1 P17174 1/20 0.37
KYAT1 Q16773 1/20 0.37
KYAT3 Q6YP21 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
SCHEMBL4069565 0.90 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3HTT
SCHEMBL4068085 0.76 POLB (0.42) HTTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4067884 0.76 PYGL (0.50) ALDH1A1KDM4ESMN1; SMN2PYGL
SCHEMBL4073186 0.74 KDM4E (0.60) ALDH1A1KDM4ESMN1; SMN2KMT2ATHRB
SCHEMBL4066125 0.74 LMNA (0.42) ALDH1A1KDM4ELMNASMN1; SMN2TP53
SCHEMBL4064789 0.74 POLB (0.47) ALDH1A1AADATGOT1KYAT1KYAT3
SCHEMBL4065818 0.73 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4064970 0.73 PYGL (0.44) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL5642069 0.73 PYGL (0.72) PYGL
SCHEMBL4068434 0.72 TSHR (0.44) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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-1819332-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LTD (GB) 2009-03-11 EP disclosed