SCHEMBL4765563

SCHEMBL4765563

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc2ncsc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.53
NPC1 O15118 12/20 0.53
KMT2A Q03164 9/20 0.53
MEN1 O00255 8/20 0.53
GFER P55789 1/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CHRNA7 P36544 2/20 0.49
NAMPT P43490 1/20 0.48
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACKR3 P25106 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL4770904 0.94 RAB9A (0.52) RAB9ANPC1KMT2AMEN1GFER
SCHEMBL4770201 0.84 SMN1; SMN2 (0.50) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL4772409 0.83 RAB9A (0.51) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL6299436 0.82 RAB9A (0.57) RAB9ANPC1KMT2AMEN1GFER
SCHEMBL12748847 0.81 RAB9A (0.46) RAB9ANPC1KMT2AMEN1GFER
SCHEMBL4775503 0.81 MAPT (0.54) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL4768058 0.78 NPC1 (0.69) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL4765225 0.78 HRH3 (0.55) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4768020 0.78 SLC2A1 (0.53) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL4765905 0.78 NPC1 (0.69) RAB9ANPC1KMT2AMEN1KDM4E

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed