SCHEMBL8473779

SCHEMBL8473779

CCOC(=O)c1c(C(c2ccccc2)c2ccccc2)c2ccccc2n1C(C)C1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.48
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 4/20 0.48
DHFR P00374 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ELANE P08246 1/20 0.37
GPR88 Q9GZN0 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
SCHEMBL8477380 0.95 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRELANE
SCHEMBL8474565 0.93 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8474902 0.91 SLC6A2 (0.41) SLC6A3SLC6A2SLC6A4LMNAGPR88
SCHEMBL8475904 0.91 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8472627 0.87 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8473691 0.86 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8475103 0.84 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Hydrochloric Acid SCHEMBL8474176 0.83 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8477091 0.81 GPR88 (0.39) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Hydrochloric Acid SCHEMBL8472604 0.81 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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