SCHEMBL9528467

SCHEMBL9528467

O=C(Nc1ccc(C#CCCC2CC(c3ccccc3)=CCN2)nc1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.42
NPC1 O15118 10/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 4/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 3/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 3/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36
KLF5 Q13887 1/20 0.36
MAPK1 P28482 2/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL9529515 0.86 DRD2 (0.35) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9529704 0.81 DRD2 (0.38)
SCHEMBL8906340 0.77 DRD2 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9528137 0.76 DRD2 (0.53)
SCHEMBL9528676 0.74 DRD2 (0.37) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL9532675 0.70 GRIN2B (0.36) MEN1KMT2A
SCHEMBL9529877 0.69 DRD2 (0.49)
SCHEMBL9528065 0.68 DRD2 (0.35)
SCHEMBL9532677 0.68 DRD2 (0.33)
SCHEMBL1483884 0.67 RAB9A (0.61) RAB9ANPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556332-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS. WARNER LAMBERT CO (US) 1993-08-25 EP claimed
EP-0556332-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS. WARNER LAMBERT CO (US) 1993-08-25 EP disclosed