SCHEMBL5330573

SCHEMBL5330573

Cc1ccc(-c2ccc(-c3cc(N)n(C)n3)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 4/20 0.44
TSHR P16473 2/20 0.43
STAT1 P42224 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
LRRK2 Q5S007 2/20 0.40

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
SCHEMBL13974502 0.81 MAPT (0.66) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5306918 0.79 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL22659099 0.78 TLR8 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22658975 0.78 HSD11B1 (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5334228 0.76 LMNA (0.44) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL13974491 0.75 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5338160 0.74 CYP2C19 (0.32) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5363950 0.73 GRM5 (0.40) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5333351 0.72 CYP17A1 (0.37) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL5306310 0.72 NPY5R (0.38) MAPTMEN1KMT2ASMN1; SMN2NPC1

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
WO-2007034279-A2 C3A ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed
WO-2007034279-A2 C3A ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed