SCHEMBL7963269

SCHEMBL7963269

Cc1cc(O[C@H](O)CCN2CCC(O)(c3cncc4ccccc34)CC2)c2ccn(C(C)C)c2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A1 P30531 1/20 0.31
SLC6A12 P48065 1/20 0.31
SLC6A11 P48066 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
CCR5 P51681 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL7963266 0.85 SMN1; SMN2 (0.39)
SCHEMBL7963263 0.84
SCHEMBL7965345 0.77 SLC6A1 (0.34) SLC6A2SLC6A4SLC6A1SLC6A12SLC6A11
SCHEMBL7953976 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A1SLC6A12SLC6A11
SCHEMBL7965454 0.75 OPRL1 (0.36) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1
SCHEMBL7965744 0.74 HTR1A (0.36) SLC6A4SLC6A1SLC6A12SLC6A11SLC6A13
SCHEMBL7967126 0.73 ABCB1 (0.39)
SCHEMBL7963100 0.72 SLC6A1 (0.34) SLC6A2SLC6A4SLC6A1SLC6A12SLC6A11
SCHEMBL8139378 0.72 SLC6A1 (0.34) SLC6A2SLC6A4SLC6A1SLC6A12SLC6A11
SCHEMBL7967096 0.72 TUBB4A (0.38) SLC6A1SLC6A12SLC6A11SLC6A13OPRM1

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