SCHEMBL8906350

SCHEMBL8906350

O=C(Nc1ccc(C#CCCN2C=CC(C3=CCC=CC3)=CC2)nc1)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.40
NPC1 O15118 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 6/20 0.38
POLB P06746 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
MEN1 O00255 1/20 0.34
PTBP1 P26599 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8906708 0.81 DRD2 (0.32)
SCHEMBL8906340 0.73 DRD2 (0.59) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL9202147 0.73 DRD2 (0.51) RAB9ANPC1ALDH1A1KMT2AHSD17B10
SCHEMBL8908199 0.70 DRD2 (0.42)
SCHEMBL8906800 0.68 DRD2 (0.46)
SCHEMBL9528467 0.66 RAB9A (0.42) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL1483884 0.65 RAB9A (0.61) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL9199464 0.64 RAB9A (0.46) RAB9ANPC1ALDH1A1KMT2AGAA
SCHEMBL8908180 0.61 GRIN1 (0.36)
Hydrochloric Acid SCHEMBL9741845 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556332-B1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-03-20 EP claimed
WO-1992007831-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO claimed
US-5620988-A Substituted tetrahydropyridines and hydroxypiperidines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
EP-0556332-B1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-03-20 EP disclosed
US-5466698-A Substituted tetrahydrophyridines and hydroxypiperidines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1995-11-14 US disclosed
US-5273977-A 1-Phenylethylidynealkylene-4-phenyl-1,2,5,6-tetrahydropyridines WARNER-LAMBERT COMPANY (US) 1993-12-28 US disclosed
WO-1992007831-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO disclosed