SCHEMBL7964941

SCHEMBL7964941

Cc1cc(OC[C@H](O)CN2CCC(O)(c3cnc4ccccc4n3)CC2)c2cc(C)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
ABCB1 P08183 9/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR1A P08908 2/20 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
SCHEMBL7964943 0.85 LTA4H (0.33) CCR1HTR1A
SCHEMBL7964944 0.84 MEN1 (0.30) MEN1KMT2A
SCHEMBL7965117 0.78 CYP1A2 (0.58) ABCB1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7963395 0.77 LMNA (0.44) ABCB1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7962210 0.76 TP53 (0.56) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL7962698 0.74 L3MBTL1 (0.46) MEN1KMT2ASMN1; SMN2MAPK1HSD17B10
Fumaric Acid SCHEMBL7966212 0.74 ABCB1 (0.51) ABCB1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7962746 0.72 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1MAPTMAPK1HSD17B10
SCHEMBL8019951 0.70 MEN1 (0.49) ABCB1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8141686 0.70 ABCB1 (0.40) ABCB1MEN1KMT2AMAPT

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
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