SCHEMBL2848346

SCHEMBL2848346

CCCc1c(OC(=O)NCCc2ccc(F)cc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
TP53 P04637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR1 P21554 2/20 0.43
RAB9A P51151 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.41
PKM P14618 1/20 0.39

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
SCHEMBL2856900 0.95 MAPT (0.47) MAPTTP53NPSR1CNR1RAB9A
SCHEMBL2857882 0.90 MAPT (0.43) MAPTTP53NPSR1CNR1RAB9A
SCHEMBL2856513 0.90 TAAR1 (0.51) MAPTTP53RAB9ATAAR1LMNA
SCHEMBL2860461 0.90 TAAR1 (0.54) MAPTTP53CNR1RAB9ATAAR1
SCHEMBL2850486 0.89 MAPT (0.46) MAPTRAB9ATAAR1LMNAPKM
SCHEMBL2852485 0.89 ABCB1 (0.50) MAPTTP53NPSR1CNR1TAAR1
SCHEMBL2858349 0.88 CNR1 (0.44) MAPTCNR1TAAR1LMNAPKM
SCHEMBL2854313 0.87 NPSR1 (0.54) MAPTTP53NPSR1CNR1TAAR1
SCHEMBL2855797 0.87 CNR1 (0.47) MAPTNPSR1CNR1TAAR1LMNA
SCHEMBL2856544 0.86 ABCB1 (0.53) TP53CNR1LMNA

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