SCHEMBL21032706

SCHEMBL21032706

CCn1c(C)c(-c2csc3cc(-c4cc(F)cc(Cl)c4)ccc23)c2cc(F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.36
AKR1B1 P15121 1/20 0.36
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.32
PTGDR Q13258 1/20 0.32
METAP2 P50579 1/20 0.31

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
SCHEMBL21032707 0.86 MAPK14 (0.43) PTGDR2KDM4EMAPTMAPK1L3MBTL1
SCHEMBL21032411 0.81 HTR6 (0.46) PTGDR2AKR1B1HTR6KDM4EMAPT
SCHEMBL21032545 0.76 MAPT (0.39) PTGDR2KDM4EMAPTMAPK1L3MBTL1
SCHEMBL21031874 0.76 PTGDR2 (0.45) PTGDR2HTR6MAPTL3MBTL1CYP2C9
SCHEMBL21032561 0.75 PTGDR2 (0.59) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL21031949 0.74 PTGDR2 (0.52) PTGDR2CYP2C9PTGDR
SCHEMBL21032881 0.73 PTGDR2 (0.45) PTGDR2METAP2
SCHEMBL24179971 0.72 METAP2 (0.39) PTGDR2METAP2
SCHEMBL21032472 0.71 PTGDR2 (0.48) PTGDR2AKR1B1HTR6MAPT
SCHEMBL24180030 0.71 PTGDR2 (0.50) PTGDR2CYP2C9PTGDR

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-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed