SCHEMBL9405871

SCHEMBL9405871

CCCC1CCC(COc2ccc(-c3ccc(F)cc3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
RIPK1 Q13546 1/20 0.38
SSTR5 P35346 2/20 0.36
KCNH2 Q12809 2/20 0.36
BRD4 O60885 3/20 0.35
KDM1A O60341 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CNR1 P21554 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
SCHEMBL9405874 1.00 HTR2A (0.38) HTR2AHTR2CHTR2BRIPK1SSTR5
SCHEMBL9406449 0.93 HTR2A (0.37) HTR2AHTR2CHTR2BRIPK1SSTR5
SCHEMBL9406444 0.93 HTR2A (0.37) HTR2AHTR2CHTR2BRIPK1SSTR5
SCHEMBL9406204 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1SSTR5
SCHEMBL9406115 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1SSTR5
SCHEMBL9406120 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1SSTR5
SCHEMBL9406347 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1SSTR5
SCHEMBL9406209 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1SSTR5
SCHEMBL9406352 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1SSTR5
SCHEMBL9406215 0.90 HTR2A (0.40) HTR2AHTR2CHTR2BRIPK1SSTR5

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