SCHEMBL7358151

SCHEMBL7358151

CCCCCN1C2CCC1CC(CCOc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
ERBB2 P04626 1/20 0.41
FLT1 P17948 1/20 0.41
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCRTR1 O43613 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL7321450 0.84 KDM4E (0.53) KDM4EERBB2FLT1EPHA2KDR
SCHEMBL7325971 0.81 KDM4E (0.60) KDM4EALDH1A1SIGMAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL5881222 0.81 KDM4E (0.59) KDM4EALDH1A1SIGMAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL5082574 0.80 KDM4E (0.58) KDM4EALDH1A1SIGMAR1SMN1; SMN2
Oxalic Acid SCHEMBL7331859 0.78 KDM4E (0.56) KDM4EERBB2FLT1EPHA2KDR
SCHEMBL7327714 0.74 HCRTR1 (0.55) KDM4ETHRBALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL12885024 0.74 KDM4E (0.69) KDM4ETHRBALDH1A1SMN1; SMN2MEN1
SCHEMBL6996144 0.73 KDM4E (0.52) KDM4ETHRBALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL6996149 0.73 KDM4E (0.52) KDM4ETHRBALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL20503253 0.72 KDM4E (0.63) KDM4ETHRBALDH1A1SMN1; SMN2MEN1

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
EP-0629190-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-21 EP claimed
WO-1993015052-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO claimed