SCHEMBL6584316

SCHEMBL6584316

CN(C)C(=S)N1CCC(CN2CCC(N)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.31
THRB P10828 2/20 0.30

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
SCHEMBL6586735 0.81 MAPT (0.44) GNAI3GNAO1GNAI1SMN1; SMN2MAPT
SCHEMBL6584534 0.76 CXCR3 (0.45) ACHEGNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL6585178 0.73 SMN1; SMN2 (0.42) GNAI3GNAO1GNAI1SMN1; SMN2CHRM5
SCHEMBL6586007 0.73 POLB (0.47) MAPTGAATHRB
SCHEMBL2673448 0.73 CHRM5 (0.48) ACHEGNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL8100117 0.73 CHRM5 (0.48) ACHEGNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL7839825 0.73 HTR1A (0.46) GNAI3GNAO1GNAI1SMN1; SMN2MAPT
SCHEMBL16900146 0.72 NCF1 (0.50) ACHEGNAI3GNAO1GNAI1CHRM5
SCHEMBL22940150 0.72 GNAI3 (0.44) ACHEGNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL6585893 0.72 HTR4 (0.43) MAPTGAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076055-B1 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS DAINIPPON PHARMACEUTICAL CO (JP) 2004-11-24 EP disclosed
US-6294555-B1 SEROTONIN HT3 RECEPTOR ANTAGONIST FOR GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-09-25 US disclosed
EP-1076055-A1 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2001-02-14 EP disclosed