SCHEMBL7964903

SCHEMBL7964903

O[C@H](COc1ccc(C(F)(F)F)cc1)CN1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.51
CACNA1G O43497 6/20 0.50
KCNH2 Q12809 4/20 0.50
SCN1A P35498 3/20 0.49
SCN5A Q14524 3/20 0.49
SCN9A Q15858 3/20 0.49
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7965753 0.91 KMT2A (0.50) PRMT5WDR77KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7953359 0.91 PRMT5 (0.45) CYP2D6PRMT5WDR77L3MBTL1SMN1; SMN2
SCHEMBL7969553 0.89 L3MBTL1 (0.55) CYP2D6PRMT5WDR77KMT2AL3MBTL1
SCHEMBL7953344 0.88 KDM4E (0.53) CYP2D6CACNA1GPRMT5WDR77KMT2A
SCHEMBL7953454 0.88 PRMT5 (0.47) CYP2D6PRMT5WDR77L3MBTL1SMN1; SMN2
SCHEMBL7969310 0.88 L3MBTL1 (0.51) CYP2D6PRMT5WDR77KMT2AL3MBTL1
SCHEMBL7965174 0.88 KMT2A (0.52) CACNA1GKCNH2PRMT5WDR77KMT2A
SCHEMBL7966950 0.88 TSHR (0.56) CYP2D6PRMT5WDR77KMT2AL3MBTL1
SCHEMBL27193282 0.88 SMN1; SMN2 (0.57) PRMT5WDR77SMN1; SMN2
SCHEMBL7200720 0.88 SMN1; SMN2 (0.57) PRMT5WDR77SMN1; SMN2

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