SCHEMBL6173769

SCHEMBL6173769

Cc1ccc(NC(=O)Nc2ccc(C)c(NC3=NCCN3)c2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 1/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
KCNJ6 P48051 1/20 0.47
KCNJ5 P48544 1/20 0.47
KCNJ3 P48549 1/20 0.47
STING1 Q86WV6 1/20 0.47
CA2 P00918 1/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 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
Hydrochloric Acid SCHEMBL5828141 0.99 NPC1 (0.50) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5827404 0.94 NPC1 (0.50) NPC1MEN1KMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5827392 0.93 NPC1 (0.49) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6174219 0.88 SMN1; SMN2 (0.59) NPC1MEN1KMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5827423 0.87 SMN1; SMN2 (0.58) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12870032 0.76 ACHE (0.76) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11757404 0.76 ADRA2A (0.63) MEN1KMT2AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1143175 0.76 ACHE (0.74) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL30577265 0.75 SMN1; SMN2 (0.81) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3172131 0.75 CFB (0.49) MEN1KMT2AADRA2AADRA2BADRA2C

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-1170288-B9 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2005-01-26 EP disclosed
EP-1170288-B1 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2004-08-11 EP disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 EP disclosed