SCHEMBL9220646

SCHEMBL9220646

CNC(=O)c1ccc(C)cc1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FASN P49327 8/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
PDK2 Q15119 1/20 0.40
F12 P00748 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
ADCY1 Q08828 1/20 0.39

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
SCHEMBL27652147 0.84 PTGDR2 (0.55) PTGDR2NPC1RAB9ACYP1A2HPGD
SCHEMBL18304696 0.83 PTGDR2 (0.57) PTGDR2NPC1RAB9A
SCHEMBL5728643 0.81 PTGDR2 (0.51) PTGDR2NPC1RAB9AGAAKMT2A
SCHEMBL9548868 0.80 ADRB3 (0.39) PTGDR2FASNKMT2APDK2
SCHEMBL3911363 0.80 GAA (0.47) PTGDR2NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL30280958 0.79 FASN (0.47) PTGDR2NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL27832639 0.79 PTGDR2 (0.53) PTGDR2NPC1RAB9AHPGDGAA
SCHEMBL5517055 0.78 GAA (0.49) PTGDR2NPC1RAB9AHPGDGAA
SCHEMBL27832665 0.77 PTGDR2 (0.51) PTGDR2NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12488847 0.77 PTGDR2 (0.48) PTGDR2NPC1RAB9AHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635018-A1 4-(1H-2-METHYLIMIDAZO 4,5-c]PYRIDINYLMETHYL)PHENYLSULPHONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF BRITISH BIO-TECHNOLOGY LIMITED (GB) 1995-01-25 EP disclosed
EP-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP disclosed