SCHEMBL5218692

SCHEMBL5218692

NC(=O)c1ccc(C(F)(F)F)nc1N1CCC(NC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.42
TRPV1 Q8NER1 13/20 0.41
RPS6KB1 P23443 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PAK1 Q13153 2/20 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
Hydrochloric Acid SCHEMBL5220463 0.83 KIT (0.45) SCN10ATRPV1
SCHEMBL3296116 0.81 TRPV1 (0.41) SCN10ATRPV1RPS6KB1PAK1
SCHEMBL5222145 0.81 P2RY12 (0.42) TRPV1CNR1CNR2
SCHEMBL3453077 0.78 ADRB1 (0.48) SCN10A
SCHEMBL27863228 0.76 TP53 (0.41) SCN10ATRPV1
SCHEMBL5219893 0.76 DRD2 (0.56)
SCHEMBL2071362 0.75 HPGDS (0.62) TRPV1RPS6KB1PAK1
SCHEMBL2328007 0.75 ADRB1 (0.54)
SCHEMBL27863224 0.74 TRPV1 (0.39) SCN10ATRPV1
SCHEMBL3453625 0.73 KMT2A (0.43) SCN10ATRPV1

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-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed