SCHEMBL7965521

SCHEMBL7965521

Cn1ccc2c(OCCC(O)N3CCC(O)(c4cnc5ccccc5c4)CC3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
EGLN1 Q9GZT9 1/20 0.33
LMNA P02545 2/20 0.33
AGER Q15109 1/20 0.33
ABCB1 P08183 2/20 0.33
RHEB Q15382 1/20 0.32
MCL1 Q07820 1/20 0.32
POLB P06746 1/20 0.32
TPH1 P17752 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL7953961 0.84 OPRM1 (0.43) LMNAPOLBOPRM1OPRD1OPRK1
SCHEMBL7965524 0.84 ABCB1 (0.48) LMNAAGERABCB1OPRM1OPRD1
SCHEMBL7966027 0.84 MAPT (0.37) LMNAABCB1POLBOPRM1OPRD1
SCHEMBL7965525 0.83 OPRL1 (0.35) HCRTR1HCRTR2EGLN1ABCB1OPRM1
SCHEMBL7953383 0.83 HTR1A (0.40) LMNAOPRM1
SCHEMBL7968932 0.83 OPRM1 (0.35) ABCB1OPRM1OPRD1OPRK1OPRL1
SCHEMBL7953366 0.82 HTR1A (0.43)
SCHEMBL7968250 0.82 KCNA3 (0.38) ABCB1OPRM1OPRD1OPRK1OPRL1
SCHEMBL7962652 0.82 HTR1A (0.37) ABCB1OPRM1OPRD1OPRK1OPRL1
SCHEMBL7965358 0.80 PRMT5 (0.36) ABCB1MCL1OPRM1OPRD1OPRK1

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 4 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
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed