SCHEMBL11040385

SCHEMBL11040385

CC(C=O)c1cc(Cl)c(N2CCCCC2)cc1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HRH3 Q9Y5N1 5/20 0.38
APP P05067 3/20 0.38
HTR6 P50406 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A3 P47895 1/20 0.37
GRM5 P41594 1/20 0.37
MAPK1 P28482 2/20 0.37
SLC22A1 O15245 1/20 0.37
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL11040306 0.79 ABCB1 (0.46) HPGDMEN1KMT2AHRH3L3MBTL1
SCHEMBL11040290 0.77 KDM4E (0.40) HPGDMEN1KMT2AALDH1A3MAPK1
SCHEMBL27833449 0.71 TDP1 (0.50) HTR1AL3MBTL1MAPK1LMNAADRA1A
SCHEMBL28332609 0.69 MRGPRX4 (0.44) HTR1AL3MBTL1MAPK1LMNAADRA1A
SCHEMBL9047388 0.69 HTR1A (0.72) HPGDHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL17659018 0.69 HTR1A (0.52) HTR1ASLC6A2SLC6A4SLC6A3HRH3
SCHEMBL6201707 0.69 HTR1A (0.49) HPGDHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL11219312 0.69 ALDH1A3 (0.54) HPGDMEN1KMT2AALDH1A3MAPK1
SCHEMBL25539406 0.68 HTR1A (0.48) HPGDHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL16046661 0.68 HTR1A (0.74) HPGDHTR1ASLC6A2SLC6A4SLC6A3

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-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP disclosed