SCHEMBL7962728

SCHEMBL7962728

CC(=O)c1ccc(OC[C@@H](O)CN2CCC(O)(c3cnc4ccccc4c3)CC2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 14/20 0.54
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7953297 0.89 LMNA (0.55) ABCB1MEN1KMT2AALDH1A1LMNA
SCHEMBL7969773 0.85 ABCB1 (0.47) ABCB1MEN1KMT2AALDH1A1LMNA
SCHEMBL7962733 0.85 ABCB1 (0.39) ABCB1
SCHEMBL7953490 0.85 ABCB1 (0.54) ABCB1
SCHEMBL7962723 0.84 MAP4K4 (0.36) ABCB1MEN1KMT2A
SCHEMBL7966028 0.83 ABCB1 (0.54) ABCB1MEN1KMT2AALDH1A1LMNA
SCHEMBL7953682 0.83 ABCB1 (0.47) ABCB1MEN1KMT2AALDH1A1LMNA
SCHEMBL7964373 0.83 ABCB1 (0.63) ABCB1
SCHEMBL7953962 0.82 ABCB1 (0.54) ABCB1MEN1KMT2AALDH1A1LMNA
SCHEMBL8019951 0.82 MEN1 (0.49) ABCB1MEN1KMT2AALDH1A1LMNA

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