SCHEMBL8477091

SCHEMBL8477091

CC(Oc1ccc(C(c2ccccc2)c2c(C(=O)O)n(C(C)C3CCCN3)c3ccccc23)cc1)C1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.39
SLC6A3 Q01959 8/20 0.37
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 4/20 0.37
DHFR P00374 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL8473415 0.92 GPR88 (0.41) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8472627 0.91 SLC6A3 (0.43) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8474565 0.90 SLC6A3 (0.42) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8472274 0.89 SMN1; SMN2 (0.38) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8477355 0.88 GPR88 (0.38) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8898490 0.87 GPR88 (0.43) GPR88SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8472000 0.87 HTR2C (0.43) GPR88SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL8475103 0.87 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8471936 0.84 GPR88 (0.36) GPR88SLC6A3SLC6A2SLC6A4
SCHEMBL8473691 0.83 SLC6A3 (0.43) GPR88SLC6A3SLC6A2SLC6A4DHFR

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