SCHEMBL8472000

SCHEMBL8472000

CC(C1CCCN1)n1c(C(=O)O)c(C(c2ccccc2)c2ccc(OCc3ccccc3)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
GPR88 Q9GZN0 1/20 0.43
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.37
CHRM4 P08173 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL8477072 0.93 GPR88 (0.45) HTR2CHTR2BGPR88MEN1NPC1
SCHEMBL8474902 0.91 SLC6A2 (0.41) HTR2CHTR2BGPR88TP53CHRM4
SCHEMBL8898490 0.90 GPR88 (0.43) GPR88ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8898481 0.89 HTR2C (0.42) HTR2CHTR2BGPR88MEN1NPC1
SCHEMBL8472627 0.89 SLC6A3 (0.43) GPR88ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8477091 0.87 GPR88 (0.39) GPR88ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8475103 0.85 SLC6A3 (0.38) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8474450 0.83 LMNA (0.47) HTR2CHTR2BALDH1A1ALOX15KMT2A
SCHEMBL8472347 0.83 SMN1; SMN2 (0.41) HTR2CHTR2BMEN1ALDH1A1KMT2A
SCHEMBL8475904 0.82 SLC6A3 (0.41) GPR88ALDH1A1SLC6A2SLC6A4SLC6A3

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
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed