SCHEMBL7969310

SCHEMBL7969310

O[C@H](COc1ccc(Oc2ccccc2)cc1)CN1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
ABCB1 P08183 6/20 0.47
HTR1A P08908 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45

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
SCHEMBL7969553 0.96 L3MBTL1 (0.55) L3MBTL1KDM4EPRMT5WDR77CYP2D6
SCHEMBL7966950 0.90 TSHR (0.56) L3MBTL1KDM4EPRMT5WDR77CYP2D6
SCHEMBL7953344 0.90 KDM4E (0.53) L3MBTL1KDM4EPRMT5WDR77CYP2D6
SCHEMBL7965174 0.90 KMT2A (0.52) L3MBTL1PRMT5WDR77ABCB1KMT2A
SCHEMBL7953454 0.90 PRMT5 (0.47) L3MBTL1KDM4EPRMT5WDR77CYP2D6
SCHEMBL27193282 0.90 SMN1; SMN2 (0.57) KDM4EPRMT5WDR77ABCB1SMN1; SMN2
SCHEMBL7200720 0.90 SMN1; SMN2 (0.57) KDM4EPRMT5WDR77ABCB1SMN1; SMN2
SCHEMBL7966384 0.89 MAPT (0.53) L3MBTL1PRMT5WDR77ABCB1HTR1A
SCHEMBL7953572 0.89 KMT2A (0.54) L3MBTL1KDM4EPRMT5WDR77TSHR
SCHEMBL7953359 0.88 PRMT5 (0.45) L3MBTL1KDM4EPRMT5WDR77CYP2D6

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