SCHEMBL7969072

SCHEMBL7969072

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccc2c(c1)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
LMNA P02545 6/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
LTA4H P09960 2/20 0.38
OPRL1 P41146 2/20 0.38
HTR7 P34969 1/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7964785 0.98 LMNA (0.40) PRMT5WDR77LMNAALDH1A1SMN1; SMN2
SCHEMBL7200725 0.90 OPRL1 (0.41) LMNAALDH1A1SMN1; SMN2LTA4HOPRL1
SCHEMBL7969555 0.88 OPRL1 (0.45) PRMT5WDR77LMNAALDH1A1LTA4H
SCHEMBL7962985 0.87 LTA4H (0.39) LMNAALDH1A1SMN1; SMN2LTA4HOPRL1
SCHEMBL7966386 0.86 LTA4H (0.38) LMNAALDH1A1LTA4HOPRL1DRD3
SCHEMBL7969481 0.86 LTA4H (0.38) LMNAALDH1A1LTA4HOPRL1DRD2
SCHEMBL7969312 0.86 LTA4H (0.45) PRMT5WDR77LMNAALDH1A1LTA4H
SCHEMBL7966953 0.86 OPRL1 (0.39) LMNAALDH1A1LTA4HOPRL1MEN1
SCHEMBL7953348 0.86 MEN1 (0.47) LMNAALDH1A1LTA4HOPRL1DRD2
SCHEMBL7953456 0.86 OPRL1 (0.39) PRMT5WDR77LMNAALDH1A1LTA4H

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 4 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
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO 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