SCHEMBL23536505

SCHEMBL23536505

CCc1cccc(F)c1N1CCC(F)(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
CNR2 P34972 2/20 0.38
P2RX7 Q99572 3/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
DRD3 P35462 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A9 P48067 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL23535998 0.84 MAOB (0.37) MAOBCNR2KMT2AMEN1RAB9A
SCHEMBL23536026 0.82 MAOB (0.37) MAOBCNR2ALDH1A1TRPV3
SCHEMBL23536171 0.82 MAOB (0.37) MAOBCNR2KMT2AMEN1RAB9A
SCHEMBL29932063 0.77 KMT2A (0.39) P2RX7KMT2ARAB9AALDH1A1TSHR
SCHEMBL28867512 0.74 MC4R (0.35) CNR2TRPV3
SCHEMBL28867505 0.74 MC4R (0.38) TRPV3
SCHEMBL28867513 0.74 MC4R (0.35) CNR2TRPV3
SCHEMBL28867506 0.74 MC4R (0.38) TRPV3
SCHEMBL23925319 0.73 ALDH1A1 (0.43) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL7915890 0.72 HTR1A (0.37) MAOBKMT2AHTR1ADRD2TRPV3

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed