SCHEMBL9026730

SCHEMBL9026730

Cc1ccnc(-c2cccc(Cc3cccc(C(F)(F)F)c3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.43
GRM5 P41594 1/20 0.41
GPR52 Q9Y2T5 4/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2A P28223 1/20 0.41
LTA4H P09960 1/20 0.40
NPY5R Q15761 1/20 0.39
NR3C2 P08235 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MPO P05164 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL9500899 0.82 BRD4 (0.41) GRM5RAB9A
SCHEMBL9027236 0.79 FFAR1 (0.40) GRM5RAB9A
SCHEMBL8777792 0.78 APP (0.41) GRM5GPR52HTR2CHTR2BHTR2A
SCHEMBL9025837 0.76 GRM5 (0.43) GRM5RAB9A
SCHEMBL2666275 0.74 KMO (0.48) RAB9A
SCHEMBL21977980 0.72 IDH1 (0.51)
SCHEMBL2128638 0.72 ALDH1A1 (0.50) HTR2CHTR2BHTR2ANR3C2RAB9A
SCHEMBL30047602 0.72 ALDH1A1 (0.50) HTR2CHTR2BHTR2ANR3C2RAB9A
SCHEMBL9025927 0.72 GRM5 (0.38) GRM5LTA4HTLR8TLR7MPO
SCHEMBL9550832 0.71 CCR1 (0.43) GRM5RAB9A

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
EP-0459662-B1 Fungicidal compounds ZENECA LTD (GB) 1996-08-21 EP disclosed
US-5185339-A FUNGICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-09 US disclosed
EP-0459662-A1 Fungicidal compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed