SCHEMBL21028018

SCHEMBL21028018

CC(=O)C1CCCc2c(Cc3cccnc3Sc3ccc(F)cc3)c3ccccc3n21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.34
PTGDR Q13258 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSPO P30536 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL21028015 0.86 ALDH1A1 (0.38) PTGDR2NPC1RAB9ASMN1; SMN2TSPO
SCHEMBL21028085 0.76 PTGDR2 (0.43) PTGDR2PTGDRCYP3A4CYP2C9
SCHEMBL21027976 0.75 PTGDR2 (0.49) PTGDR2PTGDRCYP3A4CYP2C9
SCHEMBL21027972 0.70 PTGDR2 (0.45) PTGDR2PTGDRRAB9AMEN1KMT2A
SCHEMBL21028291 0.69 PTGDR2 (0.42) PTGDR2PTGDRTDP1
SCHEMBL21027858 0.67 PTGDR2 (0.50) PTGDR2PTGDR
SCHEMBL21027857 0.67 PTGDR2 (0.47) PTGDR2PTGDRSMN1; SMN2LMNAMAPT
SCHEMBL21027975 0.61 PTGDR2 (0.44) PTGDR2PTGDRMAPTCYP3A4MEN1
SCHEMBL21028077 0.58 MEN1 (0.41) TSPOMAPTCYP3A4CYP2C19MEN1
SCHEMBL21609586 0.56 ALDH1A1 (0.44) SMN1; SMN2LMNAMAPTHTTCYP3A4

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
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed