SCHEMBL14422198

SCHEMBL14422198

O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.48
▸ KCNQ3 O43525 3/20 0.46
▸ KCNQ2 O43526 3/20 0.46
▸ KCNE1 P15382 3/20 0.46
▸ KCNQ1 P51787 3/20 0.46
▸ ATF1 P18846 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ KCNJ5 P48544 1/20 0.46
▸ KCNJ3 P48549 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PTGS1 P23219 3/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ P2RX1 P51575 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ TMPRSS4 Q9NRS4 1/20 0.42
▸ KCNQ5 Q9NR82 1/20 0.41

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
SCHEMBL14422201 0.86 KMT2A (0.45) NPC1RAB9A
SCHEMBL14422200 0.85 NPC1 (0.47) TRPV1NPC1RAB9ANR3C1
SCHEMBL14422197 0.77 TRPV1 (0.47) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL14422199 0.75 TAAR1 (0.46) —
Hydrochloric Acid SCHEMBL5215090 0.74 TAAR1 (0.45) —
SCHEMBL5217205 0.73 MMP2 (0.56) —
SCHEMBL14422204 0.73 TRPV1 (0.46) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL14422228 0.73 LMNA (0.56) TRPV1NPC1RAB9A
SCHEMBL14422195 0.71 AHR (0.65) NPC1
SCHEMBL16761992 0.70 TRPV1 (0.67) TRPV1KCNQ3KCNQ2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 — — US disclosed
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 — — US disclosed
EP-1818333-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-08-15 — — EP disclosed
Send feedback