SCHEMBL7859795

SCHEMBL7859795

N#Cc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.74
OPRK1 P41145 1/20 0.74
HTR1A P08908 13/20 0.71
DRD2 P14416 11/20 0.71
HTR2A P28223 3/20 0.71
HTT P42858 1/20 0.71
SLC6A4 P31645 1/20 0.65
HTR6 P50406 1/20 0.55

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
SCHEMBL7527363 0.90 SLC6A4 (0.66) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL14280720 0.85 OPRM1 (1.00) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL9527241 0.84 OPRM1 (0.78) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL7536094 0.84 OPRM1 (0.78) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL7543848 0.83 HTR1A (1.00) OPRM1OPRK1HTR1ADRD2HTR2A
Oxalic Acid SCHEMBL7867306 0.82 SLC6A4 (0.66) HTR1ADRD2HTR2ASLC6A4HTR6
SCHEMBL4194997 0.81 HTR1A (1.00) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL7649906 0.80 HTR1A (0.83) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL1122147 0.80 OPRM1 (0.71) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL1122074 0.79 SLC6A4 (1.00) HTR1ASLC6A4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed