SCHEMBL8472271

SCHEMBL8472271

O=C(NC1CCCCCCC1)c1c(C(c2ccccc2)c2ccc(OCCN3CCCC3)cc2)c2ccccc2n1CCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
LTA4H P09960 4/20 0.47
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
ESR1 P03372 1/20 0.42
PSMB1 P20618 1/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC2A1 P11166 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
SCHEMBL8473412 0.87 LTA4H (0.51) HRH3LTA4HESR1PSMB1HTT
SCHEMBL8476147 0.87 TSHR (0.49) KDM4ELMNATP53SMN1; SMN2CNR1
SCHEMBL8477083 0.87 CYP3A4 (0.49) KDM4ETP53SMN1; SMN2CNR1CNR2
SCHEMBL8477094 0.86 LTA4H (0.58) HRH3LTA4HESR1PSMB1HTT
SCHEMBL8477351 0.86 HRH3 (0.48) HRH3LTA4HESR1PSMB1HTT
Hydrochloric Acid SCHEMBL8477102 0.85 SMN1; SMN2 (0.40) HTTKDM4EALDH1A1LMNAMAPT
SCHEMBL8472268 0.84 MAPK1 (0.38) KDM4EALDH1A1MAPK1SMN1; SMN2CNR1
SCHEMBL8472281 0.82 HRH3 (0.47) HRH3LTA4HBMPR1BBMPR1ATGFBR1
SCHEMBL8475983 0.82 LTA4H (0.50) HRH3LTA4HESR1HTTKDM4E
SCHEMBL8474563 0.81 LTA4H (0.50) HRH3LTA4HESR1PSMB1HTT

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