SCHEMBL6174576

SCHEMBL6174576

O=C(Nc1ncccc1F)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
NPC1 O15118 8/20 0.61
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.54
USP2 O75604 1/20 0.52
KDR P35968 1/20 0.51
ADORA3 P0DMS8 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PABPC1 P11940 1/20 0.49
NAMPT P43490 1/20 0.49
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49

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
SCHEMBL17197681 0.86 RAB9A (0.50) RAB9ANPC1HTTATMUSP2
SCHEMBL30648563 0.81 RAB9A (0.88) RAB9ANPC1HTTATMKDR
SCHEMBL23566394 0.80 USP2 (0.68) RAB9ANPC1HTTATMUSP2
SCHEMBL3820618 0.80 HTT (0.66) RAB9ANPC1HTTATMKDR
SCHEMBL14439750 0.80 NPC1 (0.61) RAB9ANPC1HTTATMKDR
SCHEMBL7532358 0.80 KMT2A (0.68) RAB9ANPC1HTTATMMEN1
SCHEMBL14252960 0.80 DEGS1 (0.58) RAB9ANPC1MEN1KMT2ANAMPT
SCHEMBL6174932 0.80 TRPV1 (0.64) RAB9ANPC1HTTATMMEN1
SCHEMBL9842635 0.79 RAB9A (0.68) RAB9ANPC1HTTATMKDR
SCHEMBL29077108 0.79 NPC1 (0.60) RAB9ANPC1HTTATMKDR

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