SCHEMBL9766624

SCHEMBL9766624

CCC1CCC(C(C)c2ccc(F)nc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
TRPV3 Q8NET8 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ACACB O00763 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 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
SCHEMBL9158975 0.90 PTGS2 (0.37) P2RX7
SCHEMBL12891847 0.89 SLC6A2 (0.36) P2RX7
SCHEMBL12891848 0.89 SLC6A2 (0.36) P2RX7
SCHEMBL9158474 0.80 PTGS2 (0.36) P2RX7ACACB
SCHEMBL10479801 0.79 HTR2A (0.34)
SCHEMBL9155759 0.78 PTGS2 (0.35) ACACB
SCHEMBL9253040 0.77 TRPV3 (0.33) TRPV3
SCHEMBL9157491 0.77 PTGS2 (0.35) ACACB
SCHEMBL8774169 0.76 GRIN2B (0.36) TRPV3ACACB
SCHEMBL9158940 0.76 GAA (0.35) ACACB

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-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed