SCHEMBL29923104

SCHEMBL29923104

Cc1ncccc1-c1cccc2c1OCC[C@H]2CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.35
CNR2 P34972 1/20 0.33
HTR2C P28335 3/20 0.32
SLC6A4 P31645 3/20 0.32
AAK1 Q2M2I8 1/20 0.32
HTR2A P28223 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL27214645 1.00 P2RX7 (0.35) P2RX7CNR2HTR2CSLC6A4AAK1
SCHEMBL27231342 1.00 P2RX7 (0.35) P2RX7CNR2HTR2CSLC6A4AAK1
SCHEMBL27214613 0.91 CNR2 (0.32) P2RX7CNR2HTR2CSLC6A4AAK1
SCHEMBL29923581 0.91 CNR2 (0.32) P2RX7CNR2HTR2CSLC6A4AAK1
SCHEMBL29923158 0.86 SCN9A (0.34) P2RX7CNR2HTR2CSLC6A4AAK1
SCHEMBL29923235 0.85 KDM4C (0.36) KDM4C
SCHEMBL27214539 0.85 KDM4C (0.36) KDM4C
SCHEMBL29923339 0.85 GPR119 (0.37) KDM4C
SCHEMBL29923145 0.85 GPR119 (0.37) KDM4C
SCHEMBL29923604 0.85 KCNH2 (0.34) CNR2HTR2CSLC6A4AAK1HTR2A

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