SCHEMBL7772243

SCHEMBL7772243

Brc1ccc(OCCN2CCCC2)c(COCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.56
DRD1 P21728 3/20 0.56
DRD4 P21917 3/20 0.56
DRD5 P21918 3/20 0.56
DRD3 P35462 3/20 0.56
DRD2 P14416 2/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LTA4H P09960 5/20 0.52
CCR5 P51681 2/20 0.50
HTT P42858 1/20 0.47

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
SCHEMBL4484633 0.78 MEN1 (0.57) HRH1DRD1DRD4DRD5DRD3
SCHEMBL4481567 0.78 MEN1 (0.57) HRH1DRD1DRD4DRD5DRD3
SCHEMBL4478052 0.78 MEN1 (0.61) HRH1DRD1DRD4DRD5DRD3
SCHEMBL2322967 0.75 HTR1B (0.67) MEN1KMT2ALTA4H
SCHEMBL7773943 0.74 MEN1 (0.51) HRH1DRD1DRD4DRD5DRD3
SCHEMBL29447351 0.74 LTA4H (0.87) HRH1DRD1DRD4DRD5DRD3
SCHEMBL6393260 0.73 LTA4H (0.84) HRH1DRD1DRD4DRD5DRD3
SCHEMBL2329109 0.72 ALDH1A1 (0.67) MEN1KMT2ALTA4HHTT
SCHEMBL2322184 0.72 LTA4H (0.61) MEN1KMT2ALTA4HHTT
SCHEMBL6593991 0.72 MEN1 (0.85) MEN1KMT2ALTA4HHTT

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-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed