SCHEMBL7965338

SCHEMBL7965338

CSc1ccc(OCCC(O)N2CCC(O)(c3cncc4ccccc34)CC2)c(C)c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.31
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 0.31
OPRL1 P41146 3/20 0.31
DRD2 P14416 2/20 0.30
DRD4 P21917 2/20 0.30
DRD3 P35462 2/20 0.30

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
SCHEMBL7965342 0.84 KMT2A (0.44) DRD4
SCHEMBL7965345 0.82 SLC6A1 (0.34) OPRL1DRD2DRD4DRD3
SCHEMBL8132545 0.82 NOTUM (0.33) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL7965447 0.80 HRH3 (0.36) DRD3
Succinic Acid SCHEMBL7965776 0.80 ITGA4 (0.34) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL7967120 0.80 ABCB1 (0.41) DRD2DRD3
SCHEMBL7965737 0.79 HTR1A (0.41) DRD2DRD4DRD3
SCHEMBL7963263 0.78
Malonic Acid SCHEMBL7953257 0.78 TP53 (0.36) DRD2DRD4DRD3
SCHEMBL7963097 0.77 HRH3 (0.36)

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
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed