SCHEMBL4774510

SCHEMBL4774510

Cn1nnc2cc(C(=O)Nc3ccc4c(c3)CCN(C3CCC3)CC4)ccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 5/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
HPGD P15428 2/20 0.53
RXFP1 Q9HBX9 3/20 0.53
HRH3 Q9Y5N1 3/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.46
HSD11B1 P28845 2/20 0.46
AHR P35869 1/20 0.46

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 SCHEMBL4775692 0.94 RAB9A (0.52) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL4765391 0.88 RXFP1 (0.51) RAB9AKDM4ENPC1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4767186 0.83 MAPT (0.46) RAB9AMEN1KMT2AMAPTHPGD
SCHEMBL4770201 0.81 SMN1; SMN2 (0.50) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL4772409 0.81 RAB9A (0.51) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL4765111 0.80 HRH3 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4775503 0.80 MAPT (0.54) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL4765905 0.80 NPC1 (0.69) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL4770147 0.79 HRH3 (0.46) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL4765424 0.79 HRH3 (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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