SCHEMBL7328555

SCHEMBL7328555

Clc1ccc(OCCC2CC3CCC(C2)N3)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
HCRTR1 O43613 1/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 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
Oxalic Acid SCHEMBL7327904 0.92 KDM4E (0.51) KDM4EHCRTR1HPGDALDH1A1SMN1; SMN2
SCHEMBL4321291 0.79 KDM4E (0.48) KDM4EHCRTR1HPGDALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL4156097 0.78 KDM4E (0.47) KDM4EHCRTR1HPGDALDH1A1SLC6A4
SCHEMBL7321450 0.78 KDM4E (0.53) KDM4EHCRTR1ALDH1A1SLC6A4SLC6A2
SCHEMBL2240729 0.74 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3
Oxalic Acid SCHEMBL7331859 0.72 KDM4E (0.56) KDM4EHCRTR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7358151 0.71 KDM4E (0.46) KDM4EHCRTR1ALDH1A1SMN1; SMN2
SCHEMBL5870737 0.71 PRMT5 (0.43) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL7236230 0.70 KDM4E (0.56) KDM4EALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL6608189 0.70 LTA4H (0.49) KDM4EHCRTR1ALDH1A1SMN1; 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
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