SCHEMBL7969555

SCHEMBL7969555

O[C@H](CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.45
LTA4H P09960 2/20 0.41
OPRM1 P35372 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
OPRD1 P41143 1/20 0.39
CCR1 P32246 3/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HTR1A P08908 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
TACR2 P21452 1/20 0.37

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
SCHEMBL7969312 0.96 LTA4H (0.45) OPRL1LTA4HOPRM1KMT2AMEN1
SCHEMBL7965175 0.92 OPRL1 (0.47) OPRL1OPRM1CCR1HTR1A
SCHEMBL7966953 0.92 OPRL1 (0.39) OPRL1LTA4HOPRM1KMT2AMEN1
SCHEMBL7953348 0.92 MEN1 (0.47) OPRL1LTA4HOPRM1KMT2AMEN1
SCHEMBL7953456 0.92 OPRL1 (0.39) OPRL1LTA4HOPRM1KMT2AMEN1
SCHEMBL7200725 0.92 OPRL1 (0.41) OPRL1LTA4HOPRM1KMT2AMEN1
SCHEMBL7963021 0.91 ALDH1A1 (0.43) OPRL1OPRM1KMT2AMEN1ALDH1A1
SCHEMBL7953579 0.91 CCR1 (0.41) OPRL1LTA4HOPRM1KMT2AMEN1
SCHEMBL7966386 0.91 LTA4H (0.38) OPRL1LTA4HOPRM1KMT2AMEN1
SCHEMBL7953361 0.90 OPRL1 (0.39) OPRL1LTA4HOPRM1KMT2AMEN1

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