SCHEMBL9405907

SCHEMBL9405907

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
HTR2C P28335 5/20 0.36
HTR2B P41595 5/20 0.36
HTR2A P28223 3/20 0.36
RIPK1 Q13546 1/20 0.36
BRD4 O60885 1/20 0.34
SLC6A9 P48067 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM1A O60341 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
SCHEMBL9405905 1.00 FFAR1 (0.39) FFAR1HTR2CHTR2BHTR2ARIPK1
SCHEMBL9405904 1.00 FFAR1 (0.39) FFAR1HTR2CHTR2BHTR2ARIPK1
SCHEMBL24170503 0.94 HTR2C (0.40) HTR2CHTR2BHTR2ARIPK1BRD4
SCHEMBL14391042 0.94 HTR2C (0.40) HTR2CHTR2BHTR2ARIPK1BRD4
SCHEMBL12366408 0.91 HTR2A (0.38) HTR2CHTR2BHTR2ARIPK1BRD4
SCHEMBL9406086 0.89 FFAR1 (0.38) FFAR1HTR2CHTR2BHTR2ARIPK1
SCHEMBL9406082 0.89 FFAR1 (0.38) FFAR1HTR2CHTR2BHTR2ARIPK1
SCHEMBL9406078 0.89 FFAR1 (0.38) FFAR1HTR2CHTR2BHTR2ARIPK1
SCHEMBL9561956 0.88 PDE4B (0.39) HTR2CHTR2BHTR2ARIPK1PDE4A
SCHEMBL9561951 0.88 PDE4B (0.39) HTR2CHTR2BHTR2ARIPK1PDE4A

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-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed