SCHEMBL8477351

SCHEMBL8477351

CCCNC(=O)c1c(C(c2ccccc2)c2ccc(OCCN3CCCC3)cc2)c2ccccc2n1CCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
LTA4H P09960 2/20 0.48
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
ESR1 P03372 3/20 0.43
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
NLRP1 Q9C000 1/20 0.41

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
SCHEMBL8479146 0.92 HTT (0.45) HRH3LTA4HKDM4ELMNAHTT
Hydrochloric Acid SCHEMBL8474181 0.90 KDM4E (0.52) KDM4ELMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8473412 0.90 LTA4H (0.51) HRH3LTA4HKDM4ELMNAHTT
Hydrochloric Acid SCHEMBL8476318 0.88 KDM4E (0.50) KDM4ELMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8472179 0.87 KDM4E (0.48) KDM4ELMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8475739 0.87 KDM4E (0.48) KDM4ELMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8477094 0.86 LTA4H (0.58) HRH3LTA4HKDM4ELMNAHTT
SCHEMBL8475772 0.86 SMN1; SMN2 (0.46) HRH3LTA4HKDM4ELMNAALDH1A1
SCHEMBL8472271 0.86 HRH3 (0.47) HRH3LTA4HKDM4ELMNAHTT
SCHEMBL8471934 0.86 EPHX2 (0.48) HRH3LTA4HKDM4ELMNAHTT

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