SCHEMBL7965345

SCHEMBL7965345

CSc1ccc(OC(O)CCN2CCC(O)(c3cncc4ccccc34)CC2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A11 P48066 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRL1 P41146 1/20 0.31
CASP6 P55212 1/20 0.31
CCR5 P51681 1/20 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 0.83 KMT2A (0.44) DRD4
SCHEMBL7965338 0.82 OPRM1 (0.31) DRD2DRD4DRD3OPRL1
SCHEMBL7969776 0.82 OPRL1 (0.35) DRD2DRD4DRD3OPRL1
SCHEMBL7965454 0.80 OPRL1 (0.36) SLC6A1SLC6A12SLC6A11SLC6A13DRD3
SCHEMBL7967126 0.79 ABCB1 (0.39) DRD2DRD4DRD3
SCHEMBL7965744 0.78 HTR1A (0.36) SLC6A1SLC6A12SLC6A11SLC6A13DRD2
SCHEMBL7963269 0.77 SLC6A2 (0.33) SLC6A1SLC6A12SLC6A11SLC6A13SLC6A2
SCHEMBL8139378 0.77 SLC6A1 (0.34) SLC6A1SLC6A12SLC6A11SLC6A13DRD2
SCHEMBL7963100 0.77 SLC6A1 (0.34) SLC6A1SLC6A12SLC6A11SLC6A13DRD2
SCHEMBL7953976 0.76 SLC6A2 (0.38) SLC6A1SLC6A12SLC6A11SLC6A13DRD2

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-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed