SCHEMBL9727711

SCHEMBL9727711

O=C1Nc2cccnc2N(C(=O)CN2CCC(CCCCN3CCCCC3)CC2)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.75
CHRM1 P11229 3/20 0.75
CHRM4 P08173 2/20 0.75
CHRM5 P08912 2/20 0.75
CHRM3 P20309 2/20 0.75
ALOX15 P16050 1/20 0.75
DRD1 P21728 1/20 0.75
DRD5 P21918 1/20 0.75
TMEM97 Q5BJF2 1/20 0.75
USP2 O75604 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67

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
SCHEMBL9727789 0.97 CHRM2 (0.73) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9727985 0.93 CHRM2 (0.65) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL10517009 0.93 CHRM2 (0.66) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9728115 0.89 CHRM2 (0.64) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9674192 0.89 CHRM2 (0.60) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9728271 0.89 CHRM2 (0.78) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9676282 0.88 CHRM2 (0.60) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL8880640 0.88 CHRM2 (0.77) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL10969022 0.88 LMNA (0.81) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL10709094 0.88 LMNA (0.81) CHRM2CHRM1CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312895-A2 Condensed diazepinones, process for their preparation and medicament containing them Dr. Karl Thomae GmbH (DE) 1989-04-26 EP claimed
JP-1230580-A None JP disclosed
US-5175158-A CONDENSED DIAZEPINONES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS DR. KARL THOMAE, GMBH (DE) 1992-12-29 US disclosed
JP-H01230580-A CONDENSED DIAZEPINONE, ITS PREPARATION AND PHARMACEUTIC CONTAINING THAT COMPOUND DR KARL THOMAE GMBH 1989-09-14 JP disclosed
EP-0312895-A2 Condensed diazepinones, process for their preparation and medicament containing them Dr. Karl Thomae GmbH (DE) 1989-04-26 EP disclosed