SCHEMBL1543700

SCHEMBL1543700

O=C(O)[C@@]1(Cc2ccccc2)CCC[C@H](N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
YTHDC1 Q96MU7 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGES O14684 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL19583039 0.80 CCR5 (0.44) KDM4EAGERMTNR1ACCR5MEN1
SCHEMBL25699414 0.78 DPP8 (0.38) KDM4ECCR5MEN1KMT2AALDH1A1
SCHEMBL25573148 0.78 DPP8 (0.38) KDM4ECCR5MEN1KMT2AALDH1A1
SCHEMBL1543234 0.78 MEN1 (0.40) KDM4EAGERMTNR1ACCR5MEN1
SCHEMBL31629952 0.75 CCR5 (0.46) KDM4ECCR5MEN1KMT2AALDH1A1
SCHEMBL1963929 0.75 CCR5 (0.41) KDM4EAGERMTNR1ACCR5MEN1
SCHEMBL13734746 0.75 TRPA1 (0.51) KDM4EAGERCCR5MEN1KMT2A
SCHEMBL29856880 0.75 CCR5 (0.46) KDM4ECCR5MEN1KMT2AALDH1A1
SCHEMBL27876478 0.75 CCR5 (0.46) KDM4ECCR5MEN1KMT2AALDH1A1
SCHEMBL14657441 0.75 TRPA1 (0.51) KDM4EAGERCCR5MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed