SCHEMBL23027450

SCHEMBL23027450

CC1(C)COc2c(Br)ccc(F)c21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL15011718 0.79 HTR1A (0.36) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL15011716 0.79 HTR1A (0.36) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL31566437 0.79 HTR1A (0.31) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL23027449 0.79 TP53 (0.32)
SCHEMBL22650791 0.70 PTGS1 (0.36) HTR1A
SCHEMBL29437993 0.69 HTR1A (0.31) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL9901496 0.69 HTR1A (0.31) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL17188995 0.69 HTR1A (0.31) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL10440200 0.69 NR3C1 (0.35)
SCHEMBL1764329 0.68 HTR1A (0.33) HTR1AHTR7HTR2BTMEM97SIGMAR1

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-2021032074-A1 BENZAMIDE FUSED AROMATIC RING DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2021-02-25 WO disclosed