SCHEMBL6582525

SCHEMBL6582525

CCOc1ccc(C(=O)c2cccc(NCC(=O)N3CCC(CNCc4ccnc(OC)n4)CC3)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.40

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
SCHEMBL6584670 0.84 HTR1A (0.37) HTR1A
SCHEMBL6580878 0.82 SCD (0.44) HTR1A
SCHEMBL6586188 0.79 GRIN2B (0.41) HTR1A
SCHEMBL6580506 0.79 BCHE (0.34)
Hydrochloric Acid SCHEMBL6583478 0.77 F10 (0.46)
Hydrochloric Acid SCHEMBL6980263 0.72 MAPT (0.46)
SCHEMBL6584671 0.71 SMO (0.36)
SCHEMBL6582418 0.71 SMO (0.40)
SCHEMBL6986879 0.69 KMT2A (0.42)
SCHEMBL6581653 0.69 HTR1A (0.37) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455788-A1 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049737-A1 CHEMICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed