SCHEMBL6256002

SCHEMBL6256002

CC(Nc1cncnc1)C(=O)NC(c1ccccn1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
FPR2 P25090 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 3/20 0.38
TTK P33981 2/20 0.38
AURKB Q96GD4 2/20 0.38
INCENP Q9NQS7 2/20 0.38
PDE10A Q9Y233 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FFAR2 O15552 1/20 0.36
SLC6A9 P48067 1/20 0.36
MAPK1 P28482 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
SCHEMBL14863636 0.76 L3MBTL1 (0.46) HDAC6KDM4ECYP3A4TTKAURKB
SCHEMBL14863635 0.76 L3MBTL1 (0.46) HDAC6KDM4ECYP3A4TTKAURKB
SCHEMBL7149063 0.75 TRPV1 (0.46) FPR2MEN1KMT2A
SCHEMBL6180760 0.74 NPC1 (0.47) HDAC6KDM4EKMT2AALDH1A1
SCHEMBL6993237 0.73 MME (0.46) KDM4EMEN1KMT2AALDH1A1
SCHEMBL6254877 0.73 MME (0.46) KDM4EMEN1KMT2AALDH1A1
SCHEMBL6799200 0.69 MAPT (0.44) HDAC6KDM4ECYP3A4TTKAURKB
SCHEMBL20217274 0.69 KCNA5 (0.41) HDAC6KDM4EMEN1KMT2AALDH1A1
SCHEMBL10528272 0.67 KMT2A (0.56) CYP3A4MEN1KMT2AALDH1A1ADORA3
SCHEMBL6807801 0.67 KCNA5 (0.39) HDAC6KDM4ECYP3A4MEN1KMT2A

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-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed