SCHEMBL8984066

SCHEMBL8984066

OC1CCN(Cc2ccc(I)cc2)CC1N1CCC2(CCCc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.73
SLC18A3 Q16572 5/20 0.73
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
DRD2 P14416 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR2B P41595 1/20 0.54
MTOR P42345 1/20 0.54
MEN1 O00255 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53

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
Hydrochloric Acid SCHEMBL8984037 0.93 SIGMAR1 (0.80) SIGMAR1SLC18A3TP53CYP1A2CYP3A4
SCHEMBL8984028 0.86 SIGMAR1 (0.64) SIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL8984081 0.83 SLC18A3 (0.98) SIGMAR1SLC18A3
Oxalic Acid SCHEMBL9153295 0.80 SLC18A3 (0.91) SIGMAR1SLC18A3TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8984045 0.80 SLC18A3 (0.70) SIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL8984091 0.77 SLC18A3 (0.54) SIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL8984040 0.77 SIGMAR1 (0.85) SIGMAR1SLC18A3MEN1BLMPMP22
SCHEMBL467191 0.71 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL29802790 0.71 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8984057 0.71 SIGMAR1 (0.63) SIGMAR1SLC18A3MEN1BLMPMP22

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
US-5554752-A SPIRO FUSED PIPERIDINES CAPABLE OF BINDING TO A VESAMICOL RECEPTOR AND HAVING ANTICHOLINERGIC PROPERTIES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-09-10 US disclosed
US-5457207-A Anticholinergic agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-10-10 US disclosed
WO-1995009631-A1 SPIROVESAMICOLS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-04-13 WO disclosed