SCHEMBL9030215

SCHEMBL9030215

c1ccc2c(CCN3CCC(c4c[nH]c5ccccc45)CC3)cccc2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.63
OPRM1 P35372 2/20 0.62
OPRK1 P41145 2/20 0.62
OPRL1 P41146 2/20 0.62
SLC6A4 P31645 1/20 0.61
CYP2D6 P10635 1/20 0.59

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 SCHEMBL9030919 0.85 ADRA1D (0.64) ADRA1DSLC6A4CYP2D6
Hydrochloric Acid SCHEMBL9031256 0.85 ADRA1D (0.64) ADRA1DSLC6A4CYP2D6
Hydrochloric Acid SCHEMBL9031182 0.85 ADRA1D (0.64) ADRA1DSLC6A4CYP2D6
SCHEMBL14306777 0.85 ADRA1D (0.80) ADRA1DSLC6A4CYP2D6
Oxalic Acid SCHEMBL30909052 0.83 OPRM1 (0.60) ADRA1DOPRM1OPRK1OPRL1
Oxalic Acid SCHEMBL9031666 0.83 OPRM1 (0.57) ADRA1DOPRM1OPRK1OPRL1
SCHEMBL5473442 0.83 ADRA1D (0.54) ADRA1DSLC6A4CYP2D6
SCHEMBL9032327 0.83 ADRA1D (0.69) ADRA1DSLC6A4CYP2D6
Hydrochloric Acid SCHEMBL9030531 0.82 ADRA1D (0.60) ADRA1DSLC6A4CYP2D6
Hydrochloric Acid SCHEMBL9030912 0.82 ADRA1D (0.60) ADRA1DSLC6A4CYP2D6

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
EP-0714894-A1 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed