SCHEMBL5815641

SCHEMBL5815641

O=C(NC1C2CN(CCCn3nnc4ccccc4c3=O)CC21)C1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 6/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
NPC1 O15118 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 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
SCHEMBL5824200 0.82 KMT2A (0.54) RAB9AALDH1A1RXFP1KMT2AMEN1
Hydrochloric Acid SCHEMBL5821173 0.81 KMT2A (0.53) RAB9AALDH1A1RXFP1KMT2AMEN1
SCHEMBL5592369 0.72 HPGD (0.36) RAB9AALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL5599207 0.72 HPGD (0.35) RAB9AALDH1A1HPGDNPC1
SCHEMBL5330305 0.71 ATM (0.42) RAB9AALDH1A1HPGDMAPK1NPC1
SCHEMBL5821208 0.68 ALDH1A1 (0.53) RAB9AALDH1A1RXFP1KMT2AMEN1
SCHEMBL10919578 0.66 KMT2A (0.82) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL874199 0.66 KDM4E (0.70) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL4865515 0.65 ADRA1D (0.64)
Hydrochloric Acid SCHEMBL5818499 0.65 KMT2A (0.46) RAB9AALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006117760-A1 ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
WO-2006117760-A1 ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed