SCHEMBL8397985

SCHEMBL8397985

CC(C)Oc1ccc2cc(C3(O)CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.65
SLC6A4 P31645 4/20 0.51
ABCB1 P08183 2/20 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
SCHEMBL8792783 0.92 HTR1A (0.64) HTR1ASLC6A4
SCHEMBL8396250 0.92 HTR1A (0.64) HTR1ASLC6A4
SCHEMBL8397898 0.91 HTR1A (0.55) HTR1ASLC6A4
SCHEMBL8399224 0.90 HTR1A (0.63) HTR1ASLC6A4
SCHEMBL5584644 0.90 HTR1A (0.59) HTR1ASLC6A4
Oxalic Acid SCHEMBL8397820 0.90 HTR1A (0.60) HTR1ASLC6A4ABCB1
SCHEMBL8399086 0.89 HTR1A (0.54) HTR1ASLC6A4
SCHEMBL8400226 0.88 HTR1A (0.62) HTR1ASLC6A4
Oxalic Acid SCHEMBL7814401 0.87 HTR1A (0.55) HTR1ASLC6A4ABCB1
SCHEMBL8400527 0.87 HTR1A (0.50) HTR1ASLC6A4

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-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed
EP-0797576-A1 ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1997-10-01 EP disclosed