SCHEMBL7953292

SCHEMBL7953292

Cc1ccc(OCCC(O)N2CCC(O)(c3cnc4ccccc4c3)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PDPK1 O15530 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
OPRL1 P41146 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 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
SCHEMBL8019949 0.91 L3MBTL1 (0.37) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL8132545 0.90 NOTUM (0.33) MAPTL3MBTL1PDPK1GAAOPRM1
SCHEMBL7962723 0.89 MAP4K4 (0.36) MAPTPDPK1GAAKMT2AMEN1
SCHEMBL7966948 0.88 OPRM1 (0.39) LMNASMN1; SMN2ALDH1A1KDM4EOPRM1
SCHEMBL7966027 0.87 MAPT (0.37) MAPTLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL7953681 0.87 ADRB2 (0.34) LMNAKDM4EOPRM1OPRD1OPRK1
SCHEMBL7964370 0.87 ABCB1 (0.43) OPRM1OPRD1OPRK1OPRL1
SCHEMBL7953961 0.86 OPRM1 (0.43) MAPTLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL7969474 0.84 MAPT (0.38) MAPTLMNASMN1; SMN2ALDH1A1OPRM1
SCHEMBL7968932 0.84 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1NPC1

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
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