SCHEMBL14489151

SCHEMBL14489151

C[C@H]1Cc2ccc(C#N)cc2[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 3/20 0.41
HCRTR2 O43614 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ABCC9 O60706 5/20 0.35
PNMT P11086 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
CNR2 P34972 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33

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
SCHEMBL14489427 0.91 PNMT (0.38) TRPM5SLC6A2SLC6A4SLC6A3PNMT
SCHEMBL14489010 0.86 DRD2 (0.38) TRPM5PNMTHTR2AHTR2CHTR2B
SCHEMBL14489263 0.85 TRPM5 (0.42) TRPM5SLC6A2SLC6A4SLC6A3ABCC9
SCHEMBL14489202 0.84 DRD2 (0.36) TRPM5SLC6A2SLC6A4SLC6A3PNMT
SCHEMBL14489506 0.84 KDM1A (0.43) SLC6A4HTR2AHTR2CHTR2BMAOA
SCHEMBL14489381 0.84 DRD2 (0.36) TRPM5SLC6A2SLC6A4SLC6A3ABCC9
SCHEMBL14489380 0.82 DRD2 (0.40) TRPM5ABCC9PNMTHTR2AHTR2C
SCHEMBL14488879 0.80 SLC6A4 (0.39) TRPM5SLC6A2SLC6A4SLC6A3PNMT
SCHEMBL14489294 0.78 HTR2C (0.36) TRPM5PNMTHTR2AHTR2CHTR2B
SCHEMBL14489288 0.78 DRD3 (0.41) SLC6A2SLC6A4SLC6A3PNMTHTR2A

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
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 WO disclosed