SCHEMBL23972249

SCHEMBL23972249

Cc1ccc(N2CCC(c3ccccc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
GPR119 Q8TDV5 1/20 0.50
DHFR P00374 1/20 0.49
HRH3 Q9Y5N1 1/20 0.45
PDE10A Q9Y233 1/20 0.45
AVPR1A P37288 4/20 0.45
MLYCD O95822 1/20 0.44
DRD2 P14416 1/20 0.44
OPRM1 P35372 1/20 0.43
SMO Q99835 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
GRM2 Q14416 1/20 0.42

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
SCHEMBL19998597 0.86 GPR119 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22117672 0.83 GRIN2B (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2393500 0.83 DHFR (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26027624 0.82 DHFR (0.45) DHFRHRH3MLYCDDRD2SMO
SCHEMBL26674231 0.82 DHFR (0.45) DHFRAVPR1AMLYCDDRD2OPRM1
SCHEMBL14734000 0.80 GPR119 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19121425 0.80 MAPT (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16994777 0.80 AVPR1A (0.63) AVPR1AMAPTMAPK1
SCHEMBL3307866 0.80 HRH3 (0.51) DHFRHRH3MLYCDSMOMAPT
SCHEMBL31407021 0.80 DHFR (0.45) DHFRMLYCD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4183415-A1 TRPV4 INHIBITOR AS THERAPEUTIC DRUG FOR EYE DISEASE RaQualia Pharma Inc. (JP) 2023-05-24 EP disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO disclosed