SCHEMBL7325847

SCHEMBL7325847

Clc1ccc(OCCC2CCN(CC=Cc3ccccc3)CC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
S1PR1 P21453 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 1/20 0.45
BCL2A1 Q16548 1/20 0.45

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
SCHEMBL7325843 1.00 SLC6A4 (0.53) SLC6A4SLC6A3S1PR1KDM4EHRH3
Oxalic Acid SCHEMBL7320957 0.95 S1PR1 (0.51) SLC6A4SLC6A3S1PR1KDM4EHRH3
Oxalic Acid SCHEMBL7320960 0.95 S1PR1 (0.51) SLC6A4SLC6A3S1PR1KDM4EHRH3
SCHEMBL7326607 0.83 SLC6A4 (0.71) SLC6A4SLC6A3S1PR1KDM4EHRH3
SCHEMBL7326600 0.83 SLC6A4 (0.71) SLC6A4SLC6A3S1PR1KDM4EHRH3
SCHEMBL7333002 0.81 MCHR1 (0.51) SLC6A4SLC6A3S1PR1KDM4EHRH3
SCHEMBL9528399 0.79 MAOA (0.44) KDM4EHRH3LMNABCL2A1
Oxalic Acid SCHEMBL7327873 0.79 SLC6A4 (0.65) SLC6A4SLC6A3S1PR1KDM4EHRH3
Oxalic Acid SCHEMBL7327867 0.79 SLC6A4 (0.65) SLC6A4SLC6A3S1PR1KDM4EHRH3
SCHEMBL9528392 0.79 MAOA (0.44) KDM4EHRH3LMNABCL2A1

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-0542846-A1 N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP claimed
WO-1992002502-A1 N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-02-20 WO claimed