SCHEMBL8472006

SCHEMBL8472006

O=C(O)c1c(C(c2ccccc2)c2ccc(OCc3ccccc3)cc2)c2ccccc2n1CCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EGFR P00533 2/20 0.49
NPY1R P25929 1/20 0.49
LTA4H P09960 2/20 0.48
HRH3 Q9Y5N1 5/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MCHR1 Q99705 2/20 0.45
MCHR2 Q969V1 1/20 0.43

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
SCHEMBL8477094 0.90 LTA4H (0.58) HTTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8477079 0.90 HTT (0.48) HTTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8474896 0.89 EGFR (0.47) HTTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8472630 0.88 POLB (0.45) RAB9AKDM4EALDH1A1
SCHEMBL8475983 0.88 LTA4H (0.50) HTTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8479146 0.87 HTT (0.45) HTTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8472363 0.87 POLB (0.47) KDM4EALDH1A1HSD17B10
SCHEMBL8472891 0.85 EGFR (0.45) EGFRLTA4H
SCHEMBL8474454 0.84 LMNA (0.53) HTTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8472003 0.84 HTR2C (0.43) HTTRAB9ANPC1KDM4ESMN1; SMN2

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