SCHEMBL3390119

SCHEMBL3390119

O=C(c1[c]cc2ccccc2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.60
CHRM1 P11229 4/20 0.57
CHRM2 P08172 1/20 0.57
CHRM4 P08173 1/20 0.57
CHRM5 P08912 1/20 0.57
CHRM3 P20309 1/20 0.57
AVPR1A P37288 1/20 0.54

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
SCHEMBL3390173 0.89 AVPR1A (0.54) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL3100321 0.81 PLD2 (0.66) HSD11B1CHRM1
SCHEMBL3100311 0.78 HSD11B1 (0.63) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL1833332 0.77 HSD11B1 (0.68) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL5774178 0.76 HSD11B1 (0.67) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL1760919 0.76 HSD11B1 (0.67) HSD11B1CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL3106327 0.76 HSD11B1 (0.67) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL29872667 0.76 HSD11B1 (0.67) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL3392349 0.76 L3MBTL1 (0.59) CHRM4
SCHEMBL4669587 0.76 CHRM1 (0.91) HSD11B1CHRM1CHRM2CHRM4CHRM5

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-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed