SCHEMBL6052200

SCHEMBL6052200

Cc1c(C(=O)Nc2ccc(N3CCN(CCO)CC3)c(C#N)c2)cnn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CCR1 P32246 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
CHRM1 P11229 2/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL6052297 0.93 ALDH1A1 (0.46) P2RY12MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6052475 0.92 P2RY12 (0.51) P2RY12MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6052243 0.91 NPSR1 (0.51) P2RY12MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6052517 0.90 NPC1 (0.50) P2RY12MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6052582 0.89 P2RY12 (0.44) P2RY12MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6052210 0.89 DRD4 (0.48) P2RY12MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6052277 0.89 NPC1 (0.47) P2RY12MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6052341 0.89 NPC1 (0.46) P2RY12MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6052512 0.89 NPC1 (0.55) KMT2ASMN1; SMN2MEN1HPGDNPC1
SCHEMBL6052472 0.87 P2RY12 (0.47) P2RY12MAPTALDH1A1KMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP claimed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed