SCHEMBL7811545

SCHEMBL7811545

O=C(CC(CCO)c1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
SPR P35270 1/20 0.45
GAA P10253 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
SCHEMBL7815510 0.88 GRM7 (0.47) GRM7MAPTNPSR1HPGDSMN1; SMN2
SCHEMBL7812039 0.84 TACR2 (0.58)
SCHEMBL7815384 0.78 HTT (0.53) NPSR1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL19910587 0.72 NOTUM (0.63) GRM7NPSR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3456180 0.72 MEN1 (0.72) SMN1; SMN2ALDH1A1MEN1KMT2ASPR
SCHEMBL18823655 0.71 GRM7 (0.62) GRM7MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL342522 0.71 SMN1; SMN2 (0.68) GRM7SMN1; SMN2DRD2DRD4ALDH1A1
SCHEMBL8913116 0.71 PRKCZ (0.49) SMN1; SMN2ALDH1A1MEN1HTTKMT2A
SCHEMBL8024014 0.71 GRM7 (0.54) GRM7NPSR1SMN1; SMN2DRD2DRD4
SCHEMBL19910611 0.70 GRM7 (0.60) GRM7NPSR1SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773929-B1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-10-31 EP disclosed
US-5654316-A Piperidine derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1997-08-05 US disclosed
EP-0773929-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1996039386-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed