SCHEMBL13712640

SCHEMBL13712640

FC(F)(F)c1ccc(-c2ccnc(Oc3ccc4c(c3)CCN4)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.43
S1PR1 P21453 1/20 0.43
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
MAPKAPK2 P49137 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN9A Q15858 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
BACE1 P56817 1/20 0.35
PARP10 Q53GL7 2/20 0.35
PARP11 Q9NR21 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL2676020 0.80 KIF11 (0.63) KIF11S1PR1NPC1PARP10PARP11
Hydrochloric Acid SCHEMBL2675682 0.79 KIF11 (0.61) KIF11S1PR1NPC1PARP10PARP11
SCHEMBL13676215 0.76 TRPV1 (0.45) KIF11NPC1CASP3RAB9ASENP8
SCHEMBL13676221 0.76 TRPV1 (0.44) KIF11NPC1CASP3RAB9ASENP8
SCHEMBL13676217 0.74 TRPV1 (0.44) KIF11NPC1CASP3RAB9ASENP8
SCHEMBL13676216 0.74 EPHX2 (0.43) KIF11S1PR1NPC1CASP3RAB9A
SCHEMBL4004269 0.72 NPSR1 (0.50) KIF11NPC1RAB9ATRPV1
SCHEMBL4001563 0.72 TRPV1 (0.72) KIF11NPC1CASP3RAB9ASENP8
SCHEMBL1396703 0.72 KIF11 (0.60) KIF11S1PR1HRH3PARP10PARP11
SCHEMBL13676222 0.71 NPC1 (0.43) KIF11NPC1CASP3RAB9ASENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US disclosed