SCHEMBL29923280

SCHEMBL29923280

CN(C[C@@H]1CCOc2c(-c3ccnc(C(F)(F)F)c3)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.33
HTR2C P28335 3/20 0.33
SLC6A4 P31645 3/20 0.33
PDK2 Q15119 1/20 0.33
P2RX7 Q99572 2/20 0.32
UCHL1 P09936 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
RAF1 P04049 2/20 0.31
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
TIPARP Q7Z3E1 1/20 0.31
PARP16 Q8N5Y8 1/20 0.31
PARP11 Q9NR21 1/20 0.31
HTR2A P28223 1/20 0.31
HDAC4 P56524 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL30782850 1.00 KDM4C (0.33) KDM4CHTR2CSLC6A4PDK2P2RX7
SCHEMBL27214623 1.00 KDM4C (0.33) KDM4CHTR2CSLC6A4PDK2P2RX7
SCHEMBL30782853 1.00 KDM4C (0.33) KDM4CHTR2CSLC6A4PDK2P2RX7
SCHEMBL30782890 1.00 KDM4C (0.33) KDM4CHTR2CSLC6A4PDK2P2RX7
SCHEMBL29923128 0.89 BRD4 (0.33) KDM4CHTR2CSLC6A4UCHL1
SCHEMBL29923610 0.89 BRD4 (0.33) KDM4CHTR2CSLC6A4UCHL1
SCHEMBL27231300 0.89 KDM4C (0.38) KDM4CP2RX7GRIN1GRIN2BPARP15
SCHEMBL27214582 0.89 KDM4C (0.38) KDM4CP2RX7GRIN1GRIN2BPARP15
SCHEMBL29923492 0.88 CPT2 (0.34) KDM4CHTR2CSLC6A4PDK2HTR2A
SCHEMBL27214562 0.88 CPT2 (0.34) KDM4CHTR2CSLC6A4PDK2HTR2A

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-2022217232-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed