SCHEMBL23366152

SCHEMBL23366152

Fc1ccc(C2CCC(C3CCC(C4CCCCC4)CC3)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
USP5 P45974 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACMSD Q8TDX5 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP30 Q70CQ3 1/20 0.36
BACE1 P56817 1/20 0.36
KDM1A O60341 2/20 0.36
MAOB P27338 1/20 0.36
GRIA4 P48058 1/20 0.35
EPHX2 P34913 1/20 0.35
HCRTR2 O43614 1/20 0.34

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
SCHEMBL14525325 1.00 HTR2A (0.38) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL8767567 0.98 HTR2A (0.39) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL17827776 0.92 HTR2A (0.42) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL10043153 0.92 OPRL1 (0.41) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL8768461 0.89 OPRL1 (0.39) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL8768472 0.89 OPRL1 (0.39) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL10043342 0.89 ABCB1 (0.38) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL8768466 0.89 OPRL1 (0.39) HTR2AHTR2CHTR2BUSP5HDAC6
SCHEMBL127034 0.88 ACMSD (0.44) HTR2AHTR2CHTR2BKMT2AACMSD
SCHEMBL19850903 0.86 KMT2A (0.39) MEN1KMT2ANPC1RAB9AKDM1A

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
US-11008514-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2021-05-18 US disclosed