SCHEMBL4751934

SCHEMBL4751934

CCOC(=O)c1cc2n(n1)CCNCC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
CYP1A2 P05177 1/20 0.38
PLAT P00750 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 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
SCHEMBL30836782 0.88 KMT2A (0.40) KMT2AALDH1A1ADORA3CYP1A2GAA
SCHEMBL2522852 0.88 PDCD1 (0.43) KMT2AALDH1A1ADORA3CYP1A2L3MBTL1
Hydrochloric Acid SCHEMBL27136948 0.87 PDCD1 (0.42) KMT2AALDH1A1ADORA3CYP1A2L3MBTL1
SCHEMBL2929174 0.83 NPC1 (0.41) KMT2AALDH1A1CYP1A2L3MBTL1GAA
SCHEMBL2928372 0.82 NPC1 (0.43) KMT2AALDH1A1CYP1A2L3MBTL1LMNA
SCHEMBL6379433 0.81 NPC1 (0.44) KMT2AALDH1A1L3MBTL1GAALMNA
SCHEMBL2519257 0.81 ALDH1A1 (0.39) KMT2AALDH1A1ADORA3CYP1A2L3MBTL1
Hydrochloric Acid SCHEMBL16100186 0.80 KMT2A (0.40) KMT2AALDH1A1ADORA3CYP1A2L3MBTL1
SCHEMBL3309074 0.76 CYP1A2 (0.40) KMT2AALDH1A1CYP1A2GAAKDM4E
SCHEMBL3551607 0.76 PIK3CA (0.44) KMT2AALDH1A1CYP1A2L3MBTL1GAA

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-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed