SCHEMBL24187331

SCHEMBL24187331

CCOC(=O)c1cc2cc(F)c(Cl)cc2n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
KDM4E B2RXH2 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
POLB P06746 2/20 0.36
DRD2 P14416 2/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL24187458 0.84 MTNR1A (0.46) MAPTMTNR1AMTNR1BKDM4ESMN1; SMN2
SCHEMBL15563812 0.84 DRD2 (0.44) MAPTALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL16150685 0.82 MAPT (0.47) MAPTALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL24187332 0.81 KDM4E (0.44) MAPTALDH1A1KDM4ESMN1; SMN2CRHBP
SCHEMBL30104792 0.81 ADORA3 (0.39) MAPTMTNR1AMTNR1BKDM4ESMN1; SMN2
SCHEMBL5353301 0.81 SERPINE1 (0.36) MAPTALDH1A1KDM4ESMN1; SMN2NOD2
SCHEMBL5353304 0.81 SERPINE1 (0.36) MAPTALDH1A1KDM4ESMN1; SMN2NOD2
SCHEMBL20141699 0.81 MTNR1A (0.59) MAPTALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL29878502 0.80 ADORA3 (0.40) MAPTMTNR1AMTNR1BKDM4ESMN1; SMN2
SCHEMBL29153650 0.80 MTNR1A (0.42) MAPTALDH1A1MTNR1AMTNR1BKDM4E

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
WO-2022007866-A1 FUSED TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 深圳信立泰药业股份有限公司 2022-01-13 WO disclosed