SCHEMBL21028283

SCHEMBL21028283

Cc1c2n(c3ccccc13)CC(C)(C(=O)O)CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 4/20 0.38
RECQL P46063 1/20 0.38
F9 P00740 3/20 0.38
F10 P00742 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
JAK3 P52333 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
SCHEMBL24141359 0.81 HTR2A (0.42) HTR2AHTR2CSIGMAR1KDM4ERECQL
SCHEMBL24141362 0.77 HTR2A (0.46) HTR2AHTR2CSIGMAR1KDM4ERECQL
SCHEMBL21028328 0.72 KCNH2 (0.35) PTGDR2
SCHEMBL21028013 0.71 PTGDR2 (0.40) PTGDR2
SCHEMBL21027841 0.71 PTGDR2 (0.36) PTGDR2
SCHEMBL21027980 0.70 PTGDR2 (0.39) PTGDR2
SCHEMBL24141358 0.70 KDM4E (0.37) HTR2AHTR2CSIGMAR1KDM4EALDH1A1
SCHEMBL21028284 0.69 HTR2A (0.46) HTR2AHTR2CSIGMAR1PTGDR2
SCHEMBL11842462 0.67 P2RX4 (0.46) KDM4EPTGDR2MAPTALDH1A1MEN1
SCHEMBL1104626 0.66 HTR2A (0.66) HTR2AHTR2CSIGMAR1KDM4ERECQL

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