SCHEMBL8301982

SCHEMBL8301982

N=C(Nc1ccc(Cl)c(Cl)c1)N1Cc2cccc3cccc1c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
MGLL Q99685 1/20 0.36
CNR1 P21554 1/20 0.36
NOD1 Q9Y239 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
GRM4 Q14833 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CBS P35520 1/20 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
SCHEMBL8306406 0.82 TRPV1 (0.43) TRPV1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6925637 0.81 TRPV1 (0.39) TRPV1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL8338426 0.81 DRD2 (0.42) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL6927639 0.80 TAS1R3 (0.44) TRPV1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL6921675 0.80 TAS1R3 (0.46) TRPV1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL6929369 0.79 ALDH1A1 (0.40) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL8305219 0.79 GAA (0.46) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL6925067 0.79 MAPT (0.44) TRPV1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7069222 0.79 NPC1 (0.50) TRPV1LMNANPC1RAB9AMEN1
SCHEMBL6765702 0.76 SIGMAR1 (0.51) SMN1; SMN2LMNANOD1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
EP-0925300-A4 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed