SCHEMBL23920325

SCHEMBL23920325

C=C(C)c1cnn(C2CCC(C)(F)CC2)c1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
MGLL Q99685 1/20 0.31
ALOX15 P16050 1/20 0.30
PLAT P00750 1/20 0.30

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
SCHEMBL16660715 0.73 TRPV4 (0.42) TRPV4
SCHEMBL29292229 0.70 AURKA (0.32)
SCHEMBL17110437 0.70 TRPV4 (0.38) TRPV4MGLL
SCHEMBL22087196 0.70 MGLL (0.34) TRPV4MGLLALOX15
SCHEMBL22085787 0.69 TRPV4 (0.40) TRPV4MGLLALOX15
SCHEMBL17110225 0.69 TRPV4 (0.35) TRPV4MGLL
SCHEMBL17110223 0.69 TRPV4 (0.35) TRPV4MGLL
SCHEMBL23134831 0.67 P2RY12 (0.36) TRPV4MGLLALOX15
SCHEMBL16654350 0.67 NOTUM (0.38) TRPV4MGLL
SCHEMBL21816121 0.66 NOTUM (0.49) TRPV4MGLLALOX15

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-3892623-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed