SCHEMBL789561

SCHEMBL789561

Cc1sc(Nc2cc(Cl)ccc2Cl)nc1CN1CCC(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 5/20 0.42
TRPC6 Q9Y210 5/20 0.42
TRPA1 O75762 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RORC P51449 2/20 0.37
DHODH Q02127 2/20 0.37
ACHE P22303 2/20 0.36

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
SCHEMBL789969 0.81 RAB9A (0.45) ALDH1A1MITFRAB9AKDM4ELMNA
SCHEMBL10087865 0.77 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL790044 0.65 TRPC3 (0.71) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789018 0.64 TRPC3 (0.66) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL156202 0.63 HRH3 (0.76) ALDH1A1MITFRAB9AKDM4EACHE
SCHEMBL12158158 0.62 DHODH (0.69) ALDH1A1RAB9AKDM4ELMNAHPGD
SCHEMBL12158167 0.62 MAPT (0.54) ALDH1A1RAB9AKDM4ELMNAHPGD
SCHEMBL12158116 0.62 MAPT (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL12158209 0.61 DHODH (0.62) ALDH1A1RAB9AKDM4ELMNAHPGD
SCHEMBL4513933 0.61 HRH3 (0.67) ALDH1A1KDM4EACHEHRH3SMN1; SMN2

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
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed