SCHEMBL30120919

SCHEMBL30120919

CN1CCN(Cc2ccc(C(F)(F)F)cc2CC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.49
NR1H2 P55055 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.47
SCN9A Q15858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHKA P35790 1/20 0.45
ABHD6 Q9BV23 2/20 0.45
PLA2G7 Q13093 1/20 0.45
RAD52 P43351 1/20 0.44
BRAF P15056 1/20 0.44
KIT P10721 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL24651118 1.00 MGLL (0.49) MGLLNR1H2PTGDR2SCN9AMEN1
SCHEMBL23349093 0.85 MGLL (0.47) MGLLPTGDR2MEN1KMT2AABHD6
SCHEMBL24651115 0.84 MGLL (0.49) MGLLNR1H2PTGDR2SCN9AMEN1
SCHEMBL23349094 0.83 MGLL (0.56) MGLLPTGDR2ABHD6PLA2G7CYP2D6
SCHEMBL13800153 0.81 PTGDR2 (0.72) MGLLPTGDR2SCN9AMEN1KMT2A
SCHEMBL24650637 0.79 NR1H2 (0.57) NR1H2CHKARAD52BRAFKIT
SCHEMBL20214464 0.79 NR1H2 (0.61) NR1H2MEN1KMT2ABRAFKIT
SCHEMBL754058 0.78 SMN1; SMN2 (0.54) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL1264281 0.77 NR1H2 (0.62) MGLLNR1H2SCN9AMEN1KMT2A
SCHEMBL24650655 0.76 PPARG (0.51) MGLLCHKAKDM4EALDH1A1RXRA

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-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 WO disclosed