SCHEMBL7964376

SCHEMBL7964376

Cc1ccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4c3)CC2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.44
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SRC P12931 2/20 0.36
TGFBR1 P36897 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
OPRL1 P41146 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7953304 0.87 OPRL1 (0.38) ABCB1TACR2OPRL1MEN1KMT2A
SCHEMBL7964373 0.86 ABCB1 (0.63) ABCB1
SCHEMBL7953354 0.85 ALPL (0.36) DRD2DRD3TACR2TACR1OPRL1
SCHEMBL7964370 0.83 ABCB1 (0.43) ABCB1SRCTGFBR1PTGDR2OPRL1
SCHEMBL7962733 0.83 ABCB1 (0.39) ABCB1DRD2DRD3TACR2TACR1
SCHEMBL7967126 0.83 ABCB1 (0.39) ABCB1DRD2DRD4DRD3SRC
SCHEMBL7966953 0.82 OPRL1 (0.39) TACR2OPRL1MEN1KMT2A
SCHEMBL7953964 0.81 HTR1A (0.40) ABCB1DRD2DRD3TACR2TACR1
SCHEMBL7969555 0.80 OPRL1 (0.45) TACR2OPRL1MEN1KMT2A
SCHEMBL7966030 0.80 ABCB1 (0.38) ABCB1DRD2TACR2OPRL1MEN1

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 5 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-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO 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
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed