SCHEMBL7683480

SCHEMBL7683480

CNC1CCCCC1.Cc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.42
TEAD4 Q15561 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7678583 0.81 ACHE (0.46) ACHERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7684794 0.81 ACHE (0.46) ACHEALDH1A1TSHRPOLBMAPT
SCHEMBL7924360 0.80 ACHE (0.41) ACHERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL28135441 0.79 NPC1 (0.48) ACHERAB9ANPC1SMN1; SMN2ALDH1A1
Methylamine SCHEMBL10475930 0.73 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
Dimethylamine SCHEMBL4362336 0.73 ACHE (0.81) ACHERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1485899 0.73 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3036481 0.73 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL8918 0.73
SCHEMBL13166298 0.73 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed