SCHEMBL11385108

SCHEMBL11385108

COc1ccccc1N1CCN(C2CCCCCC2c2ncc[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.52
MCOLN2 Q8IZK6 6/20 0.50
MCOLN1 Q9GZU1 6/20 0.50
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
MCOLN3 Q8TDD5 5/20 0.48
ALDH1A1 P00352 1/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1B P28222 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL11387313 0.86 SLC18A3 (0.54) SLC18A3ALDH1A1LMNATSHRADRA1D
SCHEMBL11393336 0.81 SLC18A3 (0.50) SLC18A3MCOLN2MCOLN1MCOLN3LMNA
SCHEMBL11396476 0.81 SLC18A3 (0.55) SLC18A3ALDH1A1CRHBPCRHR2LMNA
SCHEMBL11395690 0.79 ALDH1A1 (0.45) ALDH1A1LMNARAB9AKDM4E
SCHEMBL11393149 0.77 CRHBP (0.40) SLC18A3ALDH1A1CRHBPCRHR2
SCHEMBL11385218 0.76 ADRA1A (0.36) MCOLN2MCOLN1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL11161118 0.75 ADRA1A (0.35) MCOLN2MCOLN1ADRA1DADRA1AADRA1B
SCHEMBL11394248 0.74 CRHBP (0.40) SLC18A3ALDH1A1CRHBPCRHR2LMNA
SCHEMBL13698537 0.74 SLC18A3 (0.65) SLC18A3MCOLN2MCOLN1MCOLN3ALDH1A1
SCHEMBL11162863 0.73 ADRA1A (0.34) ADRA1DADRA1AADRA1B

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-4258188-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-24 US claimed