SCHEMBL13898484

SCHEMBL13898484

c1ccc(-c2ccc(C3CCN(CC4(c5ccccc5)CC4)CC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.47
SLC18A3 Q16572 2/20 0.44
DRD2 P14416 1/20 0.44
MMP3 P08254 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL6159478 0.82 SLC18A3 (0.47) SIGMAR1SLC18A3DRD2
SCHEMBL12319791 0.75 DRD2 (0.60) SIGMAR1SLC18A3DRD2MMP3MEN1
SCHEMBL6159481 0.75 OPRL1 (0.44)
SCHEMBL9070278 0.74 MEN1 (0.67) SIGMAR1DRD2MEN1KMT2A
SCHEMBL3397550 0.73 DRD2 (0.81) SIGMAR1SLC18A3DRD2CARM1PRMT6
SCHEMBL8220653 0.72 SLC18A3 (0.43) SIGMAR1SLC18A3DRD2
SCHEMBL7723133 0.72 HTR1A (0.50) DRD2MEN1KMT2AHTR1A
SCHEMBL6159547 0.71 PARK7 (0.36) MEN1KMT2AHTR1A
SCHEMBL19562130 0.70 SLC6A4 (0.52) SIGMAR1
SCHEMBL18753408 0.70 SIGMAR1 (0.50) SIGMAR1MEN1KMT2ACYP2D6TSHR

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
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed