SCHEMBL8388448

SCHEMBL8388448

O=C(OCNCCCc1ccccc1)C(=O)OCNCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.60
L3MBTL1 Q9Y468 1/20 0.53
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
S1PR1 P21453 4/20 0.51
S1PR3 Q99500 2/20 0.51
EPHX2 P34913 1/20 0.50
S1PR5 Q9H228 1/20 0.49
KDM4E B2RXH2 1/20 0.49
EPHX1 P07099 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
SCHEMBL4254894 0.77 SIGMAR1 (1.00) SIGMAR1DRD2DRD4DRD3
SCHEMBL158734 0.77 SIGMAR1 (0.67) SIGMAR1L3MBTL1NPC1RAB9AGAA
SCHEMBL4498508 0.76 SIGMAR1 (0.66) SIGMAR1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL28897720 0.76 LMNA (0.72) NPC1RAB9AKDM4E
SCHEMBL13917983 0.75 S1PR1 (0.75) SIGMAR1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL10468745 0.75 HDAC3 (0.71) SIGMAR1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL28079976 0.75 L3MBTL1 (0.56) SIGMAR1L3MBTL1NPC1RAB9AGAA
SCHEMBL2538905 0.75 SIGMAR1 (0.95) SIGMAR1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4987504 0.75 LMNA (0.56) SIGMAR1NPC1RAB9AGAAKDM4E
SCHEMBL9543983 0.75 SIGMAR1 (0.58) SIGMAR1L3MBTL1DRD2DRD4DRD3

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-5977132-A GALACTORRHEA, HYPERPROLACTINEMIC OVULATION, PROLACTINOMA AND BRAIN TUMORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-02 US disclosed