SCHEMBL6873253

SCHEMBL6873253

CCCSc1ncccc1C(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.58
MCHR1 Q99705 5/20 0.47
RAB9A P51151 2/20 0.44
ADRA2A P08913 4/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6873257 1.00 HSD11B1 (0.58) HSD11B1MCHR1RAB9AADRA2AALDH1A1
SCHEMBL6866386 0.93 HSD11B1 (0.48) HSD11B1MCHR1RAB9AADRA2AALDH1A1
SCHEMBL6866381 0.93 HSD11B1 (0.48) HSD11B1MCHR1RAB9AADRA2AALDH1A1
SCHEMBL6868859 0.91 HSD11B1 (0.47) HSD11B1MCHR1ADRA2A
SCHEMBL6878491 0.90 RAB9A (0.56) MCHR1RAB9AADRA2AALDH1A1MEN1
SCHEMBL6878501 0.90 RAB9A (0.56) MCHR1RAB9AADRA2AALDH1A1MEN1
SCHEMBL6874188 0.87 ALDH1A1 (0.58) MCHR1RAB9AADRA2AALDH1A1KMT2A
SCHEMBL6874182 0.87 ALDH1A1 (0.58) MCHR1RAB9AADRA2AALDH1A1KMT2A
SCHEMBL13792794 0.85 MCHR1 (0.66) HSD11B1MCHR1RAB9AADRA2A
SCHEMBL6877359 0.84 MCHR1 (0.45) HSD11B1MCHR1ADRA2A

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed