SCHEMBL7953304

SCHEMBL7953304

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HTR1A P08908 1/20 0.35
TACR2 P21452 1/20 0.35
OPRM1 P35372 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ABCB1 P08183 2/20 0.34
LTA4H P09960 2/20 0.34

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
SCHEMBL7953354 0.91 ALPL (0.36) OPRL1LMNAKMT2AMEN1HTR1A
SCHEMBL7969776 0.90 OPRL1 (0.35) OPRL1HTR1ATACR2OPRM1ABCB1
SCHEMBL7962733 0.89 ABCB1 (0.39) OPRL1HTR1ATACR2ABCB1
SCHEMBL7966953 0.88 OPRL1 (0.39) OPRL1LMNAKMT2AMEN1HTR1A
SCHEMBL7966030 0.88 ABCB1 (0.38) OPRL1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL7953684 0.87 OPRL1 (0.36) OPRL1HTR1ATACR2OPRM1KDM4E
SCHEMBL7964376 0.87 ABCB1 (0.44) OPRL1KMT2AMEN1TACR2ABCB1
SCHEMBL7953964 0.86 HTR1A (0.40) OPRL1LMNAKMT2AMEN1HTR1A
SCHEMBL7964899 0.85 ALDH1A1 (0.50) MAPTLMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL7969481 0.85 LTA4H (0.38) OPRL1LMNAKMT2AMEN1HTR1A

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