SCHEMBL22248665

SCHEMBL22248665

O=C(Nc1ccn(-c2ccc(CN3CCC4(CC3)CNC4)cc2)c(=O)n1)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 3/20 0.35
CYP2C9 P11712 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 2/20 0.35
HIF1A Q16665 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 3/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL22248664 0.94 HPGD (0.44) KDM1AMAOBRCOR1HPGDMEN1
SCHEMBL22249119 0.91 KDM1A (0.45) KDM1AMAOBRCOR1HPGDMEN1
SCHEMBL22248293 0.91 ROCK2 (0.36) KDM1AMAOBRCOR1HPGDMEN1
SCHEMBL22248413 0.91 HPGD (0.36) KDM1AMAOBRCOR1HPGDMEN1
SCHEMBL22248411 0.91 CXCR4 (0.39) MEN1KMT2AFAAH
SCHEMBL22248357 0.89 ROCK2 (0.35) FAAH
SCHEMBL22248692 0.88 CYP2D6 (0.42) KDM1AMAOBRCOR1HPGDMEN1
SCHEMBL22235832 0.87 ROCK2 (0.35) KDM1AMAOBRCOR1HPGDMEN1
SCHEMBL22254184 0.87 FAAH (0.34) FAAH
SCHEMBL22248295 0.86 ROCK2 (0.38) FAAH

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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed