SCHEMBL7965755

SCHEMBL7965755

CC(C)(C)c1ccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4c3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.40
LTA4H P09960 2/20 0.38
OPRL1 P41146 4/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 1/20 0.38
CCR1 P32246 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
HTR1A P08908 1/20 0.35
TACR1 P25103 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7964906 0.91 OPRL1 (0.46) TACR2LTA4HOPRL1OPRM1OPRD1
SCHEMBL7953348 0.90 MEN1 (0.47) LTA4HOPRL1OPRM1OPRD1CCR1
SCHEMBL7966953 0.90 OPRL1 (0.39) TACR2LTA4HOPRL1OPRM1OPRD1
SCHEMBL7969555 0.90 OPRL1 (0.45) TACR2LTA4HOPRL1OPRM1OPRD1
SCHEMBL7953579 0.88 CCR1 (0.41) TACR2LTA4HOPRL1OPRM1CCR1
SCHEMBL7966386 0.88 LTA4H (0.38) TACR2LTA4HOPRL1OPRM1OPRD1
SCHEMBL7969312 0.88 LTA4H (0.45) TACR2LTA4HOPRL1OPRM1OPRD1
SCHEMBL7953456 0.88 OPRL1 (0.39) TACR2LTA4HOPRL1OPRM1OPRD1
SCHEMBL7965175 0.88 OPRL1 (0.47) OPRL1OPRM1CCR1HTR1A
SCHEMBL7200725 0.88 OPRL1 (0.41) TACR2LTA4HOPRL1OPRM1OPRD1

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 5 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-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO 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