SCHEMBL2856949

SCHEMBL2856949

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.48
MAPT P10636 5/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CCR1 P32246 4/20 0.46
TRPV1 Q8NER1 1/20 0.40
MAPK14 Q16539 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2858063 0.86 MAPT (0.57) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2852080 0.82 CCR1 (0.44) LPAR1MAPTCCR1POLBSMN1; SMN2
SCHEMBL2854169 0.81 MAPT (0.56) MAPTNPC1RAB9ANPSR1MAPK14
SCHEMBL2852152 0.80 MAPT (0.56) MAPTNPC1RAB9ANPSR1LMNA
SCHEMBL2850518 0.79 MAPT (0.48) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2855981 0.78 MAPT (0.60) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2852314 0.77 CCR1 (0.44) LPAR1MAPTNPSR1CCR1POLB
SCHEMBL2854048 0.77 MAPT (0.50) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2860712 0.76 MAPT (0.47) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2857105 0.76 MAPT (0.56) MAPTNPC1RAB9ANPSR1TRPV1

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