SCHEMBL11116301

SCHEMBL11116301

Cc1ccc2c(c1)CCc1cc(C)ccc1N2C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
KDM4E B2RXH2 2/20 0.48
PDE5A O76074 1/20 0.47
SRD5A1 P18405 2/20 0.45
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TSHR P16473 2/20 0.43
AADAT Q8N5Z0 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL11113805 0.86 ALDH1A1 (0.45) NOTUMKDM4EPDE5AALDH1A1TSHR
SCHEMBL9833890 0.81 PDE5A (0.65) NOTUMKDM4EPDE5ASRD5A1ALDH1A1
SCHEMBL9392589 0.77 KDM4E (0.69) NOTUMKDM4EALDH1A1NPSR1CHRM2
SCHEMBL19512822 0.77 KDM4E (0.72) NOTUMKDM4EPDE5AALDH1A1TSHR
SCHEMBL2615249 0.74 MEN1 (0.72) NOTUMKDM4EPDE5AALDH1A1TSHR
SCHEMBL31182096 0.73 ALDH1A1 (0.62) KDM4EALDH1A1NPSR1TSHRMEN1
SCHEMBL1744688 0.73 ALDH1A1 (0.62) KDM4EALDH1A1NPSR1TSHRMEN1
SCHEMBL4572834 0.72 CHRM2 (0.58) NOTUMKDM4ESRD5A1ALDH1A1NPSR1
SCHEMBL16471407 0.71 SRD5A1 (0.49) NOTUMKDM4EPDE5ASRD5A1ALDH1A1
SCHEMBL15241802 0.71 SRD5A1 (0.49) NOTUMKDM4EPDE5ASRD5A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0108715-A1 Dibenzazepine carboxamides CIBA-GEIGY AG (CH) 1984-05-16 EP claimed
EP-0108715-A1 Dibenzazepine carboxamides CIBA-GEIGY AG (CH) 1984-05-16 EP disclosed