SCHEMBL5301960

SCHEMBL5301960

COc1ccc(C(=O)Nc2cc(-c3ccc(-c4ccc(C)c(C)c4)cc3)nn2C)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PKM P14618 2/20 0.48
FOXO1 Q12778 1/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
PLAU P00749 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ABCB1 P08183 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.43
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL5303985 0.87 ALDH1A1 (0.53) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL5303048 0.82 GRM5 (0.54) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5306988 0.81 NPC1 (0.47) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL5304381 0.81 NTRK1 (0.51) MAPTALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL5311060 0.78 MAPT (0.49) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5306559 0.77 KDM4E (0.47) TSHRL3MBTL1MAPTKMT2AMEN1
SCHEMBL5306214 0.77 RAB9A (0.57) MAPTSMN1; SMN2NPC1RAB9AABCB1
Hydrochloric Acid SCHEMBL5370588 0.77 RAB9A (0.56) MAPTSMN1; SMN2NPC1RAB9AABCB1
SCHEMBL5306317 0.75 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL5326930 0.74 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1POLB

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