SCHEMBL19670410

SCHEMBL19670410

CCN1CC[C@@H](C)N(C(=O)Nc2cccc3c2cnn3CC)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.43
▸ GGPS1 O95749 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ CHRM3 P20309 1/20 0.33

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
SCHEMBL16250012 0.86 TRPV1 (0.43) TRPV1GGPS1MEN1KMT2ASYK
SCHEMBL19670218 0.86 MAPT (0.43) TRPV1MEN1KMT2AADORA2AMCHR1
SCHEMBL19670141 0.85 SCN9A (0.37) TRPV1MEN1KMT2AADORA2AHDAC1
SCHEMBL19670214 0.83 TRPA1 (0.38) MEN1KMT2ATRPA1TRPV3TRPV4
SCHEMBL19670580 0.83 TRPV1 (0.43) TRPV1MEN1KMT2AMCHR1KDM1A
SCHEMBL19670412 0.83 POLB (0.37) MEN1KMT2ATRPA1TRPV3TRPV4
SCHEMBL19670179 0.82 HTR2C (0.46) TRPV1MEN1KMT2A
SCHEMBL19670225 0.82 MLLT1 (0.38) TRPV1MEN1KMT2AMCHR1MAOA
SCHEMBL19670209 0.81 CNR2 (0.36) MEN1KMT2ATRPV3ADORA2AKDM1A
SCHEMBL19670644 0.81 HSD17B10 (0.37) TRPV1MEN1KMT2ATRPV3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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