SCHEMBL18436642

SCHEMBL18436642

CCC(=O)N1CCN(c2ccccc2)CC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
SLC6A9 P48067 4/20 0.52
NR1H2 P55055 15/20 0.50
NR1H3 Q13133 12/20 0.50

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
SCHEMBL19012515 0.91 SLC6A9 (0.50) MEN1TSHRHTTKMT2ASLC6A9
SCHEMBL19012519 0.89 SLC6A9 (0.53) MEN1TSHRHTTKMT2ASLC6A9
SCHEMBL22055741 0.84 POLB (0.57) MEN1TSHRHTTKMT2ASLC6A9
SCHEMBL27603987 0.83 KMT2A (0.50) MEN1TSHRHTTKMT2A
SCHEMBL18436327 0.83 CTSB (0.51) MEN1TSHRHTTKMT2A
SCHEMBL27873105 0.82 KMT2A (0.49) MEN1TSHRHTTKMT2A
SCHEMBL12964250 0.77 RIPK1 (0.64) MEN1TSHRHTTKMT2A
SCHEMBL2707267 0.76 SIGMAR1 (0.61) NR1H2NR1H3
Hydrochloric Acid SCHEMBL27412469 0.75 RIPK1 (0.62) MEN1TSHRHTTKMT2A
SCHEMBL27831765 0.75 RIPK1 (0.58) MEN1TSHRHTTKMT2A

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-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed