SCHEMBL5697444

SCHEMBL5697444

CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1.O=C(Cl)c1cccnc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.57
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NAMPT P43490 1/20 0.55
NPC1 O15118 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50

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
SCHEMBL2303319 0.86 RAB9A (0.72) TRPV1RAB9ASMN1; SMN2NAMPTNPC1
SCHEMBL5697442 0.85 TRPV1 (0.57) TRPV1RAB9ASMN1; SMN2NAMPTNPC1
SCHEMBL3121622 0.83 HTT (0.63) TRPV1RAB9ASMN1; SMN2NAMPTNPC1
SCHEMBL14051568 0.80 KCNQ3 (0.74) RAB9ASMN1; SMN2NAMPTNPC1KCNQ3
SCHEMBL3309155 0.80 PPARG (0.60) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3312211 0.77 KCNQ3 (0.62) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL8108070 0.77 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL3313663 0.75 LMNA (0.58) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2303956 0.75 KMT2A (0.66) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3309586 0.74 MEN1 (0.55) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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
EP-1673342-A2 AMIDES THAT INHIBIT VANILLOID RECEPROT SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-06-28 EP disclosed
WO-2005040121-A2 AMIDES THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-05-06 WO disclosed