SCHEMBL6687632

SCHEMBL6687632

COc1ccc(N)cc1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.71
GAA P10253 3/20 0.56
KDM4E B2RXH2 3/20 0.56
RECQL P46063 1/20 0.56
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
MCL1 Q07820 1/20 0.49
MAOB P27338 5/20 0.48
PKM P14618 1/20 0.47
TACR1 P25103 1/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 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
SCHEMBL2973560 0.83 RXFP1 (1.00) RXFP1GAAKDM4ERECQLMEN1
SCHEMBL18669183 0.82 GAA (0.78) RXFP1GAAKDM4ERECQLMEN1
SCHEMBL14011318 0.81 KMT2A (0.50) RXFP1GAARECQLMEN1CYP3A4
SCHEMBL14011320 0.81 RXFP1 (0.47) RXFP1GAAKDM4ERECQLMEN1
SCHEMBL8647843 0.80 ALDH1A1 (0.65) RXFP1GAAKDM4ERECQLMEN1
SCHEMBL6675911 0.79 RXFP1 (0.62) RXFP1GAAKDM4ERECQLMEN1
SCHEMBL16100129 0.78 RXFP1 (0.61) RXFP1GAAKDM4ERECQLMEN1
SCHEMBL22400685 0.78 RXFP1 (0.61) RXFP1GAAKDM4ERECQLMEN1
SCHEMBL2966645 0.78 RXFP1 (0.72) RXFP1GAAKDM4ERECQLMEN1
SCHEMBL2966642 0.78 RXFP1 (0.72) RXFP1GAAKDM4ERECQLMEN1

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
CN-1075808-C Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 2001-12-05 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed