SCHEMBL7339289

SCHEMBL7339289

CN(C)c1ccc(N(C(=O)CCl)c2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.79
NPC1 O15118 11/20 0.79
ALDH1A1 P00352 10/20 0.79
KMT2A Q03164 6/20 0.79
HTT P42858 6/20 0.79
NPSR1 Q6W5P4 6/20 0.79
POLB P06746 1/20 0.79
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 4/20 0.50
MITF O75030 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 2/20 0.50
PAX8 Q06710 6/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.49
GLA P06280 1/20 0.49
JAK2 O60674 2/20 0.46
HKDC1 Q2TB90 1/20 0.46

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
SCHEMBL2345303 0.89 ALDH1A1 (1.00) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL7338508 0.78 NPC1 (0.71) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL7341997 0.78 NPC1 (0.71) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL1507876 0.77 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL7342035 0.77 NPC1 (0.79) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL7339073 0.77 ALDH1A1 (0.69) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL7339786 0.77 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL20681654 0.77 NPC1 (0.63) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL4819693 0.76 NPC1 (0.68) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL10400233 0.76 ALDH1A1 (0.73) RAB9ANPC1ALDH1A1KMT2AHTT

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
EP-0585500-A1 Diaryl piperazineacetamides as antimuscarinic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-09 EP disclosed