SCHEMBL8477100

SCHEMBL8477100

O=C(c1c(C(c2ccccc2)c2ccccc2)c2ccccc2n1CCC1CCCN1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
HTT P42858 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8472787 0.88 DRD2 (0.40) CACNA2D1CACNA1BCACNB1HTTALDH1A1
SCHEMBL8477103 0.85 ALDH1A1 (0.45) HTTMAPK14ALDH1A1KDM4EMAPK1
SCHEMBL8472629 0.85 CACNA2D1 (0.40) CACNA2D1CACNA1BCACNB1ALDH1A1KDM4E
SCHEMBL8473313 0.84 ALDH1A1 (0.44) HTTMAPK14ALDH1A1KDM4EMAPK1
SCHEMBL8475503 0.81 CYP1A2 (0.44) HTTMAPK14ALDH1A1KDM4EMAPK1
SCHEMBL8477098 0.81 MEN1 (0.41) HTTMAPK14ALDH1A1KDM4EMAPK1
SCHEMBL8472353 0.81 ALDH1A1 (0.45) HTTMAPK14ALDH1A1KDM4EMAPK1
SCHEMBL8473693 0.80 MAPK1 (0.41) CACNA2D1CACNA1BCACNB1HTTALDH1A1
SCHEMBL8473768 0.79 SLC6A2 (0.41) CACNA2D1CACNA1BCACNB1ALDH1A1KDM4E
SCHEMBL8472003 0.79 HTR2C (0.43) HTTALDH1A1KDM4ELMNASMN1; 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