SCHEMBL8967031

SCHEMBL8967031

OCC(O)CCCN1CCC(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.63
SIGMAR1 Q99720 4/20 0.58
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
DRD2 P14416 2/20 0.55
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
HTR7 P34969 1/20 0.49

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
SCHEMBL8966946 0.86 DRD2 (0.52) SLC18A3SIGMAR1DRD2
SCHEMBL7238271 0.82 SLC18A3 (0.81) SLC18A3SIGMAR1MEN1TP53CYP1A2
SCHEMBL9967730 0.81 DRD2 (0.64) SLC18A3SIGMAR1MEN1TP53CYP1A2
SCHEMBL6591133 0.80 SLC18A3 (0.78) SLC18A3SIGMAR1MEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL7259165 0.80 SIGMAR1 (0.75) SLC18A3SIGMAR1MEN1TP53CYP1A2
SCHEMBL7388033 0.79 SLC18A3 (0.76) SLC18A3SIGMAR1MEN1TP53CYP1A2
SCHEMBL29110823 0.79 SLC18A3 (0.66) SLC18A3SIGMAR1MEN1TP53CYP1A2
SCHEMBL7281715 0.78 SLC18A3 (1.00) SLC18A3SIGMAR1MEN1TP53CYP1A2
SCHEMBL2554214 0.75 SIGMAR1 (0.69) SLC18A3SIGMAR1MEN1TP53CYP1A2
SCHEMBL3458641 0.75 SIGMAR1 (0.69) SLC18A3SIGMAR1MEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512584-A 1,3,4-trisubstituted piperidine derivatives, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed