SCHEMBL20847703

SCHEMBL20847703

CCc1cc(C)ccc1C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.51
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 3/20 0.50
HTR6 P50406 6/20 0.46
HTR1A P08908 2/20 0.45
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL22542015 0.85 HTR2C (0.50) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL22542136 0.84 HTR2C (0.49) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL31223147 0.82 HTR2C (0.42) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL28134205 0.82 SLC6A2 (0.43) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL28128243 0.82 HTR2C (0.42) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL22542124 0.81 HTR2C (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL22542150 0.81 MEN1 (0.44) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL22542151 0.81 SLC6A2 (0.43) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL22542138 0.80 SETDB1 (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR6
SCHEMBL22542126 0.80 HTR6 (0.43) HTR2CSLC6A2SLC6A4SLC6A3HTR6

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-3164395-B1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2019-03-27 EP disclosed