SCHEMBL9818977

SCHEMBL9818977

CCC(C(=O)O)=C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.60
SLC6A3 Q01959 6/20 0.60
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL10357800 0.78 SIGMAR1 (0.81) SLC6A4SLC6A3SIGMAR1
SCHEMBL9818782 0.77 SIGMAR1 (0.66) SLC6A4SLC6A3SIGMAR1
SCHEMBL10737014 0.76 KDM4E (0.62) SLC6A4SLC6A3
SCHEMBL9870100 0.76 SLC6A4 (0.61) SLC6A4SLC6A3SIGMAR1
SCHEMBL9819135 0.76 SLC6A4 (0.57) SLC6A4SLC6A3SIGMAR1
SCHEMBL9819011 0.75 SLC6A4 (0.54) SLC6A4SLC6A3SIGMAR1
Hydrochloric Acid SCHEMBL10575785 0.74 SLC6A4 (0.62) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10571199 0.73 SMN1; SMN2 (0.72) SLC6A4SLC6A3SIGMAR1
Oxalic Acid SCHEMBL10401502 0.72 SLC18A3 (0.61) SLC6A4SLC6A3SIGMAR1
SCHEMBL10357706 0.72 SIGMAR1 (0.77) SLC6A4SLC6A3SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259227-B1 BENZHYDRYLOXYETHYL PIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Société anonyme: LES LABORATOIRES MERAM (FR) 1991-12-27 EP claimed