SCHEMBL7450165

SCHEMBL7450165

CN1CCN(C(=O)c2ccc(CC(c3nc4ccccc4[nH]3)c3nc4cc(C(=N)N)ccc4[nH]3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.50
HPGD P15428 1/20 0.45
MGLL Q99685 1/20 0.44
HTR2B P41595 3/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK10 P53779 1/20 0.42
KDR P35968 3/20 0.42
FGFR1 P11362 2/20 0.42
PDGFRB P09619 1/20 0.42
F10 P00742 3/20 0.40
F9 P00740 1/20 0.40
F2 P00734 2/20 0.40
F7 P08709 2/20 0.40
POLB P06746 1/20 0.40
FLT1 P17948 1/20 0.39

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
SCHEMBL7404618 0.91 HPGD (0.43) HRH4HPGDMGLLHTR2BALDH1A1
SCHEMBL7401784 0.86 NPC1 (0.44) HPGDHTR2BF10F9F2
SCHEMBL7404651 0.85 MAPK14 (0.48) HPGDLMNATSHRALDH1A1F10
SCHEMBL7408023 0.83 LMNA (0.44) HPGDMGLLHTR2BLMNATSHR
SCHEMBL7406501 0.83 F2 (0.53) IDO1MAPTF10F9F2
SCHEMBL7403653 0.81 F2 (0.49) F10F9F2F7
SCHEMBL7410068 0.81 F2 (0.49) LMNAIDO1MAPTF10F9
SCHEMBL7404382 0.80 F2 (0.48) IDO1ALDH1A1MAPTF10F9
SCHEMBL7406090 0.78 F10 (0.47) HPGDALDH1A1F10F9F2
SCHEMBL7405081 0.77 F10 (0.44) F10F9F2F7

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-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed