SCHEMBL5987900

SCHEMBL5987900

COc1ccc2ccoc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
LMNA P02545 4/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 3/20 0.39
TSHR P16473 3/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
PDE4A P27815 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A13 Q16696 1/20 0.39

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
SCHEMBL7791751 0.86 LMNA (0.42) HTR2AHTR2CLMNACYP3A4ALDH1A1
SCHEMBL30879595 0.78 CYP1A2 (0.51) LMNACYP3A4ALDH1A1HPGDKDM4E
SCHEMBL27499528 0.78 CYP1A2 (0.51) LMNACYP3A4ALDH1A1HPGDKDM4E
SCHEMBL30659689 0.77 CYP3A4 (0.42) HTR2AHTR2CLMNACYP3A4ALDH1A1
SCHEMBL10158521 0.77 CYP3A4 (0.42) HTR2AHTR2CLMNACYP3A4ALDH1A1
SCHEMBL29002752 0.74 MCL1 (0.65) LMNACYP3A4ALDH1A1HPGDKDM4E
SCHEMBL25166132 0.74 MAOA (0.35) HTR2AHTR2CMAOA
SCHEMBL18305174 0.74 MAOA (0.35) HTR2AHTR2CCYP3A4CYP1A2TSHR
SCHEMBL30973555 0.73 CYP3A4 (0.50) HTR2AHTR2CLMNACYP3A4ALDH1A1
SCHEMBL28512047 0.73 MCL1 (0.39) LMNACYP3A4ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4703359-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-03-04 EP disclosed
WO-2024222712-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-31 WO disclosed
CN-118515663-A Imidazopyridine or imidazopyrazine compounds, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-08-20 CN disclosed
US-7045545-B1 Aminoalkylbenzofurans as serotonin (5-HT(2c)) agonists ELI LILLY AND COMPANY (US) 2006-05-16 US disclosed
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed
EP-1149085-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2001-10-31 EP disclosed
WO-2000044737-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2000-08-03 WO disclosed