SCHEMBL10517009

SCHEMBL10517009

O=C1Nc2cccnc2N(C(=O)CCCN2CCC(CCCCN3CCCC3)CC2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.66
CHRM1 P11229 2/20 0.66
CHRM4 P08173 1/20 0.66
CHRM5 P08912 1/20 0.66
ALOX15 P16050 1/20 0.66
CHRM3 P20309 1/20 0.66
DRD1 P21728 1/20 0.66
DRD5 P21918 1/20 0.66
TMEM97 Q5BJF2 1/20 0.66

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
SCHEMBL10515020 0.93
SCHEMBL9727711 0.93 CHRM2 (0.75) CHRM2CHRM1CHRM4CHRM5ALOX15
SCHEMBL11445663 0.91 LMNA (0.68) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL11445773 0.90 USP2 (0.67) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9727789 0.90 CHRM2 (0.73) CHRM2CHRM1CHRM4CHRM5ALOX15
SCHEMBL9676282 0.89 CHRM2 (0.60) CHRM2CHRM1CHRM4CHRM5ALOX15
SCHEMBL10516563 0.89
SCHEMBL10516173 0.89
SCHEMBL10359937 0.89
SCHEMBL10515636 0.89

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-0345629-A2 Condensed diazepinones, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1989-12-13 EP disclosed