SCHEMBL18908846

SCHEMBL18908846

C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.52
RECQL P46063 1/20 0.50
ACHE P22303 1/20 0.49
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
MGLL Q99685 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KMT2A Q03164 1/20 0.44
PROKR1 Q8TCW9 1/20 0.44

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
SCHEMBL12918516 0.84 GRM5 (0.71) GRM5RECQLACHEHPGDSMN1; SMN2
SCHEMBL22622324 0.81 RECQL (0.66) GRM5RECQLACHEHPGDSMN1; SMN2
SCHEMBL22622457 0.77 NPC1 (0.73) RECQLACHEHPGDSMN1; SMN2ALDH1A1
SCHEMBL433828 0.77 ACHE (0.81) GRM5RECQLACHEHPGDSMN1; SMN2
SCHEMBL18166097 0.77 ACHE (0.81) GRM5RECQLACHEHPGDSMN1; SMN2
SCHEMBL25946040 0.77 ACHE (0.81) GRM5RECQLACHEHPGDSMN1; SMN2
SCHEMBL22622353 0.75 RECQL (0.68) GRM5RECQLACHEHPGDALDH1A1
SCHEMBL14297352 0.75 KMT2A (0.62) GRM5RECQLACHEHPGDALDH1A1
SCHEMBL14197786 0.75 RECQL (0.82) GRM5RECQLACHEHPGDALDH1A1
SCHEMBL14311713 0.75 GRM5 (0.85) GRM5RECQLHPGDSMN1; SMN2ALDH1A1

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-2017091592-A1 SUBSTITUTED BENZAMIDES USEFUL AS SODIUM CHANNEL BLOCKERS GENENTECH, INC. (US) 2017-06-01 WO disclosed