SCHEMBL24170503

SCHEMBL24170503

CCC1CCC(C2CCC(COc3ccc(OCC4CC4)c(F)c3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.40
HTR2A P28223 4/20 0.40
HTR2B P41595 4/20 0.40
RIPK1 Q13546 1/20 0.40
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
BRD4 O60885 2/20 0.34
SLC6A9 P48067 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
SCHEMBL14391042 1.00 HTR2C (0.40) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL12366408 0.97 HTR2A (0.38) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL9405904 0.94 FFAR1 (0.39) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL9405905 0.94 FFAR1 (0.39) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL9561951 0.94 PDE4B (0.39) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL9405907 0.94 FFAR1 (0.39) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL9561956 0.94 PDE4B (0.39) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL9561942 0.94 PDE4B (0.39) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL9562605 0.93 HTR2C (0.36) HTR2CHTR2AHTR2BRIPK1PDE4A
SCHEMBL15445811 0.93 HTR2C (0.36) HTR2CHTR2AHTR2BRIPK1PDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295511-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-20230295511-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
WO-2022003001-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-01-06 WO disclosed