SCHEMBL7969312

SCHEMBL7969312

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
OPRL1 P41146 4/20 0.42
CCR1 P32246 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HTR1A P08908 1/20 0.36
DOCK5 Q9H7D0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TACR2 P21452 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL7969555 0.96 OPRL1 (0.45) LTA4HOPRL1CCR1KMT2AMEN1
SCHEMBL7966953 0.91 OPRL1 (0.39) LTA4HOPRL1CCR1KMT2AMEN1
SCHEMBL7953348 0.91 MEN1 (0.47) LTA4HOPRL1CCR1KMT2AMEN1
SCHEMBL7953456 0.91 OPRL1 (0.39) LTA4HOPRL1CCR1KMT2AMEN1
SCHEMBL7965175 0.91 OPRL1 (0.47) OPRL1CCR1OPRM1HTR1A
SCHEMBL7200725 0.90 OPRL1 (0.41) LTA4HOPRL1CCR1KMT2AMEN1
SCHEMBL7966386 0.89 LTA4H (0.38) LTA4HOPRL1KMT2AMEN1ALDH1A1
SCHEMBL7953579 0.89 CCR1 (0.41) LTA4HOPRL1CCR1KMT2AMEN1
SCHEMBL7953361 0.88 OPRL1 (0.39) LTA4HOPRL1CCR1KMT2AMEN1
SCHEMBL7965200 0.88 LTA4H (0.38) LTA4HOPRL1CCR1KMT2AMEN1

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