SCHEMBL7962698

SCHEMBL7962698

O[C@H](COc1ccc(I)cc1)CN1CCC(O)(c2cnc3ccccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 3/20 0.45
CYP2D6 P10635 2/20 0.45
HIF1A Q16665 1/20 0.45
ATM Q13315 1/20 0.44
CYP2C19 P33261 1/20 0.44
GLA P06280 1/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RRM1 P23921 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7953454 0.85 PRMT5 (0.47) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL7962746 0.84 SMN1; SMN2 (0.47) L3MBTL1KDM4EUSP2HSD17B10MAPK1
SCHEMBL7962210 0.83 TP53 (0.56) L3MBTL1KDM4ETSHRMAPK1KMT2A
SCHEMBL7962701 0.81 LTA4H (0.36) KMT2AMEN1
SCHEMBL7962696 0.80 LTA4H (0.35) L3MBTL1KDM4ERAB9AKMT2AMEN1
SCHEMBL7965117 0.79 CYP1A2 (0.58) CYP2D6ATMUSP2KMT2AMEN1
Sulfuric Acid SCHEMBL7968960 0.78 ADORA2A (0.39) KDM4EPKMPRMT5WDR77SMN1; SMN2
SCHEMBL7963395 0.78 LMNA (0.44) KDM4ETSHRCYP2D6HIF1AKMT2A
SCHEMBL7969553 0.76 L3MBTL1 (0.55) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL7969310 0.75 L3MBTL1 (0.51) L3MBTL1KDM4ETSHRCYP2D6HIF1A

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 2 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
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed