SCHEMBL7963100

SCHEMBL7963100

CC(C)(C)c1ccc(O[C@H](O)CCN2CCC(O)(c3cncc4ccccc34)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
TACR2 P21452 2/20 0.34
HRH3 Q9Y5N1 6/20 0.34
OPRL1 P41146 2/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP11B2 P19099 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
CCR1 P32246 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CACNA1F O60840 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL8139378 1.00 SLC6A1 (0.34) SLC6A1SLC6A12SLC6A11SLC6A13TACR2
SCHEMBL7962999 0.91 OPRL1 (0.40) OPRL1OPRM1OPRD1CCR1HTR1A
SCHEMBL7965454 0.87 OPRL1 (0.36) SLC6A1SLC6A12SLC6A11SLC6A13TACR2
SCHEMBL7967096 0.83 TUBB4A (0.38) SLC6A1SLC6A12SLC6A11SLC6A13OPRL1
SCHEMBL7963099 0.82 KMT2A (0.49) KDM4EMEN1USP2HTR1ACYP2D6
SCHEMBL7963097 0.80 HRH3 (0.36) HRH3KDM4EMEN1LMNAKMT2A
SCHEMBL7965755 0.79 TACR2 (0.40) TACR2HRH3OPRL1KDM4EOPRM1
SCHEMBL7965345 0.77 SLC6A1 (0.34) SLC6A1SLC6A12SLC6A11SLC6A13OPRL1
SCHEMBL7965744 0.76 HTR1A (0.36) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A
SCHEMBL7963764 0.76 MEN1 (0.35) SLC6A1SLC6A12SLC6A11CYP11B2MEN1

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