SCHEMBL15062310

SCHEMBL15062310

C=C(OCC)C1=C(c2ccc(F)cc2)c2ccc(Cl)cc2CCC1(C)I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.34
SLC6A15 Q9H2J7 5/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CACNA1F O60840 1/20 0.34
NR1I2 O75469 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 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
SCHEMBL15062309 0.66 PTGS1 (0.33) ALOX15MEN1NPC1MAPTRAB9A
SCHEMBL15062289 0.60 FABP4 (0.35) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL11807931 0.58 SRD5A1 (0.56) HRH1SLC6A15ALOX15MEN1NPC1
SCHEMBL3596705 0.57 MAPT (0.47) MEN1LMNAMAPTCYP2C9MAPK1
SCHEMBL18070225 0.56 UGCG (0.47) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL15594517 0.56 KDM4E (0.45) MEN1LMNACYP2D6MAPTRAB9A
SCHEMBL2064320 0.56 MEN1 (0.53) HRH1SLC6A15ALOX15MEN1NPC1
SCHEMBL12213204 0.55 MEN1 (0.44) HRH1SLC6A15ALOX15MEN1NPC1
SCHEMBL31293460 0.55 OPRM1 (0.42) MEN1CYP2D6CYP2C19OPRM1KMT2A
SCHEMBL5709337 0.55 MEN1 (0.44) HRH1SLC6A15ALOX15MEN1NPC1

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
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed