SCHEMBL7963401

SCHEMBL7963401

Cc1ccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4n3)CC2)c2c1CCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.33
ADRB1 P08588 3/20 0.33
CYP1A2 P05177 2/20 0.33
HIF1A Q16665 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRB3 P13945 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
OPRL1 P41146 2/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2C9 P11712 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL7953684 0.86 OPRL1 (0.36) ADRB2ADRB1CYP1A2HIF1AADRA2A
SCHEMBL7963395 0.83 LMNA (0.44) ADRB2ADRB1CYP1A2HIF1AADRA2A
SCHEMBL7963392 0.81 ADRB2 (0.35) ADRB2ADRB1CYP1A2HIF1AADRA2A
SCHEMBL7965119 0.80 OPRM1 (0.39) CYP1A2KDM4ETP53CYP2D6OPRL1
SCHEMBL7962701 0.78 LTA4H (0.36) OPRL1MEN1LMNAKMT2AOPRM1
SCHEMBL7962212 0.78 ALDH1A1 (0.41) KDM4ETP53OPRL1MEN1LMNA
SCHEMBL7964943 0.77 LTA4H (0.33) OPRL1OPRM1LTA4HSLC6A2SLC6A4
SCHEMBL7965366 0.75 PRMT5 (0.38) OPRL1OPRM1LTA4H
SCHEMBL7962748 0.74 PDE10A (0.39) CYP3A4OPRL1MEN1KMT2ALTA4H
SCHEMBL7953304 0.73 OPRL1 (0.38) KDM4EOPRL1MEN1LMNAKMT2A

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