SCHEMBL8300040

SCHEMBL8300040

N=C(Nc1ccc2ccccc2c1)N1CCc2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
NPC1 O15118 3/20 0.46
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CNR2 P34972 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALOX5 P09917 4/20 0.40
EPHX2 P34913 4/20 0.40

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
SCHEMBL6775199 0.86 RAB9A (0.54) NPC1HTR2CRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL6768585 0.85 RAB9A (0.53) NPC1HTR2CRAB9AMEN1KMT2A
SCHEMBL8335230 0.82 NOTUM (0.48) NOTUMNPC1RAB9AKDM4EMEN1
SCHEMBL7104918 0.74 ALDH1A1 (0.53) NOTUMNPC1RAB9AKDM4EMEN1
SCHEMBL7106350 0.71 SIGMAR1 (0.48) NOTUMNPC1RAB9AKDM4EMEN1
SCHEMBL7099545 0.71 RAB9A (0.49) NPC1HTR2CRAB9AKDM4EMAPT
SCHEMBL7101741 0.70 ALDH1A1 (0.50) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL7099371 0.70 NPC1 (0.73) NOTUMNPC1RAB9AMEN1KMT2A
SCHEMBL6765702 0.70 SIGMAR1 (0.51) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL7100160 0.70 SIGMAR1 (0.51) NPC1RAB9AMEN1KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925300-A4 1999-06-30 EP disclosed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO disclosed