SCHEMBL4607913

SCHEMBL4607913

OC1C2CC3CC(C2)CC1(c1ccccc1)C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.40
EPHX2 P34913 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HPGD P15428 1/20 0.39
KDM4A O75164 3/20 0.39
KDM4B O94953 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
FAAH O00519 1/20 0.39
HSD11B1 P28845 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL29151362 0.80 KDM1A (0.46) P2RX7EPHX2GRIN2BHSD11B1
SCHEMBL30688050 0.80 KDM1A (0.46) P2RX7EPHX2GRIN2BHSD11B1
SCHEMBL6687826 0.79 GRIN2D (0.39) P2RX7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28313136 0.79 MAOB (0.42) P2RX7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5475255 0.79 HSD11B1 (0.44) P2RX7EPHX2MEN1KMT2ANPSR1
SCHEMBL5561167 0.78 KDM1A (0.38) P2RX7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29065708 0.78 EPHX2 (0.47) P2RX7EPHX2MEN1KMT2AFAAH
SCHEMBL7083692 0.75 SIGMAR1 (0.39) P2RX7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7081986 0.75 P2RX7 (0.39) P2RX7NPSR1HSD11B1CNR2HTT
SCHEMBL27966414 0.75 HSD11B1 (0.37) P2RX7EPHX2MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789600-A Preparation method and application of novel tetrahydroindazole antitumor compound 深圳市人民医院 2023-09-22 CN claimed
CN-116444438-B Benzamide compound and preparation method, using method and application thereof 深圳市人民医院 2024-02-13 CN disclosed
CN-116789600-A Preparation method and application of novel tetrahydroindazole antitumor compound 深圳市人民医院 2023-09-22 CN disclosed
CN-116444438-A Benzamide compound and preparation method, using method and application thereof 深圳市人民医院 2023-07-18 CN disclosed
CN-107266319-A Dendritic polyphenyl substituted adamantane derivative monomolecular resin, positive photoresist composition and negative photoresist composition 中国科学院理化技术研究所 2017-10-20 CN disclosed
EP-1336597-B1 Hydroxyphenyl adamantanes and process for the production of the same HONSHU CHEMICAL IND (JP) 2008-07-16 EP disclosed
EP-1336597-A1 Hydroxyphenyl adamantanes and process for the production of the same Honshu Chemical Industry Co., Ltd. (JP) 2003-08-20 EP disclosed