SCHEMBL6174442

SCHEMBL6174442

Cc1ccc(NC(=O)Nc2ccc3c(c2)C(c2c[nH]cn2)CCO3)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
EPHX2 P34913 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
STING1 Q86WV6 1/20 0.40
CA2 P00918 1/20 0.39
POLB P06746 2/20 0.39
MALT1 Q9UDY8 1/20 0.38
GSPT1 P15170 1/20 0.38
DDB1 Q16531 1/20 0.38

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 SCHEMBL5827389 0.99 RAB9A (0.42) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL6174321 0.82 RAB9A (0.46) RAB9ANPC1SMN1; SMN2EPHX2TSHR
Hydrochloric Acid SCHEMBL5827357 0.81 RAB9A (0.45) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL5828201 0.78 RAB9A (0.42) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL30543425 0.75 ADRA2A (0.58) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL29222702 0.75 ADRA2A (0.58) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL30543403 0.75 ADRA2A (0.58)
SCHEMBL29222936 0.75 ADRA2A (0.58)
SCHEMBL5827903 0.75 RAB9A (0.46) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL6172526 0.74 RAB9A (0.45) RAB9ANPC1SMN1; SMN2EPHX2TSHR

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