SCHEMBL2851589

SCHEMBL2851589

COc1ccccc1CCNC(=O)Oc1cnn(-c2ccc(F)cc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
MAPT P10636 5/20 0.47
TP53 P04637 3/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2858580 0.91 HIF1A (0.43) MAPTTP53
SCHEMBL2857468 0.85 MAPT (0.47) MAPTTP53HPGDALDH1A1L3MBTL1
SCHEMBL2850323 0.84 MAPT (0.47) MTNR1AMTNR1BMAPTTP53MEN1
SCHEMBL2853261 0.83 SPR (0.48) MAPTTP53ALDH1A1
SCHEMBL2854625 0.82 POLB (0.48) TP53HPGDALDH1A1
SCHEMBL2858680 0.82 NPC1 (0.45) MAPTTP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL2861634 0.82 RAB9A (0.44) MAPTTP53CRHBPCRHR2HPGD
SCHEMBL2854716 0.81 MTNR1A (0.47) MTNR1AMTNR1BMAPTTP53MEN1
SCHEMBL2850369 0.81 P2RX7 (0.56) MAPTTP53
SCHEMBL2854313 0.81 NPSR1 (0.54) MAPTTP53

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed