SCHEMBL2854101

SCHEMBL2854101

CCN(CCNC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CCR1 P32246 2/20 0.42
GFER P55789 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSP90AA1 P07900 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL2854478 0.84 ITGB3 (0.46) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL2854327 0.84 CNR1 (0.58) MAPTSMN1; SMN2CCR1TRPV1NPSR1
SCHEMBL2852086 0.81 ITGB3 (0.53) MAPTTRPV1NPSR1KDM4EALDH1A1
SCHEMBL2860983 0.79 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2CCR1
SCHEMBL2723199 0.78 MEN1 (0.78) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL2723748 0.77 MAPT (0.57) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL2862263 0.76 MAPT (0.47) MAPTCCR1TRPV1NPSR1KDM4E
SCHEMBL2880891 0.76 CNR1 (0.54) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2856146 0.76 CNR1 (0.53) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2858063 0.75 MAPT (0.57) MAPTSMN1; SMN2CCR1TRPV1NPSR1

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 disclosed