SCHEMBL30103001

SCHEMBL30103001

COc1cc(-c2ccc(CCl)nc2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.46
▸ PDGFRB P09619 3/20 0.45
▸ PDGFRA P16234 3/20 0.45
▸ NAAA Q02083 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ PAX8 Q06710 1/20 0.39
▸ GRIN1 Q05586 4/20 0.39
▸ GRIN2B Q13224 4/20 0.39
▸ DYRK1A Q13627 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
SCHEMBL24784623 1.00 GRM5 (0.46) GRM5PDGFRBPDGFRANAAACYP1A2
SCHEMBL24784615 0.85 GRM5 (0.46) GRM5PDGFRBPDGFRANAAACYP1A2
SCHEMBL30103062 0.83 KDM1A (0.49) GRM5PDGFRBPDGFRAKDM1AFYN
SCHEMBL24785826 0.83 KDM1A (0.49) GRM5PDGFRBPDGFRAKDM1AFYN
SCHEMBL30018332 0.77 GRIN1 (0.47) GRM5GRIN1GRIN2B
SCHEMBL9429978 0.74 RAB9A (0.50) PDGFRBPDGFRAKDM4EALDH1A1TDP1
SCHEMBL31128519 0.74 PAX8 (0.46) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL31128539 0.74 PAX8 (0.46) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL24667671 0.73 PDGFRB (0.36) PDGFRBPDGFRANAAACYP1A2CYP3A4
SCHEMBL30716893 0.73 PDGFRB (0.36) PDGFRBPDGFRANAAACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 — — CN disclosed
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