SCHEMBL14036377

SCHEMBL14036377

CCC1CCC2CC(c3ccc(F)c(F)c3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TRPV3 Q8NET8 1/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
USP30 Q70CQ3 1/20 0.34
KDM1A O60341 5/20 0.33
MAOB P27338 1/20 0.33
USP5 P45974 2/20 0.33
CCR2 P41597 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCRTR2 O43614 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL12932031 0.93 HTR2A (0.37) HTR2AHTR2CHTR2BTRPV3SLC6A2
SCHEMBL6463545 0.90 FASN (0.35) HTR2AHTR2CHTR2BTRPV3
SCHEMBL6463542 0.90 FASN (0.35) HTR2AHTR2CHTR2BTRPV3
SCHEMBL6458483 0.89 TRPV3 (0.34) HTR2AHTR2CHTR2BTRPV3SLC6A2
SCHEMBL6458492 0.89 TRPV3 (0.34) HTR2AHTR2CHTR2BTRPV3SLC6A2
SCHEMBL6459589 0.89 CYP2C9 (0.39) HTR2AHTR2CHTR2BUSP30KDM1A
SCHEMBL6459593 0.89 CYP2C9 (0.39) HTR2AHTR2CHTR2BUSP30KDM1A
SCHEMBL6455032 0.87 SLC6A4 (0.42) TRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL6455034 0.87 SLC6A4 (0.42) TRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL6453347 0.87 TRPV3 (0.33) HTR2AHTR2CHTR2BTRPV3

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-2008143340-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND BISTABLE NEMATIC LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2008-11-27 WO disclosed