SCHEMBL7953287

SCHEMBL7953287

O[C@H](COc1ccc2cccnc2c1)CN1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.44
POLB P06746 2/20 0.43
ABCB1 P08183 7/20 0.43
ACE2 Q9BYF1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7962982 0.94 SMN1; SMN2 (0.49) SMN1; SMN2PRMT5WDR77KDM4ENPSR1
SCHEMBL27193282 0.91 SMN1; SMN2 (0.57) SMN1; SMN2PRMT5WDR77KDM4ENPSR1
SCHEMBL7200720 0.91 SMN1; SMN2 (0.57) SMN1; SMN2PRMT5WDR77KDM4ENPSR1
SCHEMBL7962746 0.88 SMN1; SMN2 (0.47) SMN1; SMN2PRMT5WDR77KDM4ENPSR1
SCHEMBL7969553 0.87 L3MBTL1 (0.55) SMN1; SMN2PRMT5WDR77KDM4EABCB1
SCHEMBL7969477 0.86 MAPT (0.50) SMN1; SMN2PRMT5WDR77KDM4EUSP2
SCHEMBL7953454 0.86 PRMT5 (0.47) SMN1; SMN2PRMT5WDR77KDM4EUSP2
SCHEMBL7965174 0.86 KMT2A (0.52) SMN1; SMN2PRMT5WDR77MAPK1MAPT
SCHEMBL7969310 0.86 L3MBTL1 (0.51) SMN1; SMN2PRMT5WDR77KDM4EABCB1
SCHEMBL7966950 0.86 TSHR (0.56) SMN1; SMN2PRMT5WDR77KDM4EUSP2

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