SCHEMBL29227936

SCHEMBL29227936

COc1cc(-c2c(-n3cc(C(F)(F)F)nn3)ccc(Cl)c2F)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 6/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ KLK1 P06870 1/20 0.39
▸ NOTUM Q6P988 6/20 0.37
▸ RXRA P19793 4/20 0.36
▸ GRIN1 Q05586 4/20 0.36
▸ GRIN2B Q13224 4/20 0.36
▸ AR P10275 1/20 0.36
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ KLKB1 P03952 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL30995051 1.00 F11 (0.41) F11GABRA1GABRG2GABRB3KLK1
SCHEMBL31174103 0.87 F11 (0.40) F11GABRA1GABRG2GABRB3NOTUM
SCHEMBL31174090 0.84 NOTUM (0.45) F11GABRA1GABRG2GABRB3NOTUM
SCHEMBL30994997 0.84 F11 (0.39) F11KLK1NOTUMARGABRA2
SCHEMBL29227930 0.84 F11 (0.39) F11KLK1NOTUMARGABRA2
SCHEMBL16971771 0.84 F11 (0.38) F11KLK1NOTUMRXRAGRIN1
SCHEMBL31174071 0.83 F11 (0.40) F11KLK1NOTUMRXRAGRIN1
SCHEMBL27003504 0.82 F11 (0.40) F11KLK1NOTUMRXRAGRIN1
SCHEMBL29839755 0.82 F11 (0.40) F11KLK1NOTUMRXRAGRIN1
SCHEMBL24633397 0.81 F11 (0.43) F11GABRA1GABRG2GABRB3KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737457-A1 POLYSUBSTITUTED MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2026-05-06 — — EP disclosed
CN-118126046-A Substituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-06-04 — — CN disclosed
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