SCHEMBL6174932

SCHEMBL6174932

O=C(Nc1ncccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.64
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
NTRK1 P04629 1/20 0.48

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
SCHEMBL30948751 0.80 NR3C2 (0.47) TRPV1
SCHEMBL6174576 0.80 RAB9A (0.61) NPC1RAB9AHTTATMMEN1
SCHEMBL20995614 0.79 CA1 (0.47) TRPV1NPC1RAB9ANTRK1
SCHEMBL23111950 0.78 TRPV1 (0.51) TRPV1NPC1RAB9ANTRK1
SCHEMBL29561782 0.78 TRPV1 (0.51) TRPV1NPC1RAB9ANTRK1
SCHEMBL30648563 0.78 RAB9A (0.88) NPC1RAB9AHTTATMMEN1
SCHEMBL17506268 0.77 NPC1 (0.51) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL14439750 0.76 NPC1 (0.61) NPC1RAB9AKCNK3KCNK9HTT
SCHEMBL3820618 0.76 HTT (0.66) NPC1RAB9AHTTATMMEN1
SCHEMBL23566394 0.76 USP2 (0.68) NPC1RAB9AKCNK3KCNK9HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575918-A2 SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-21 EP claimed
WO-2004056774-A2 SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-08 WO claimed
EP-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 EP disclosed
CN-102030771-B Compound used as transient receptor potential vanilloid (TRPV1) blocker, medicinal composition and pharmaceutical application thereof SUN QUN 2013-07-17 CN disclosed