SCHEMBL5310087

SCHEMBL5310087

Cc1cccc(CNc2cc(-c3ccc(-c4ccc(C)c(C)c4)cc3)nn2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.44
CYP3A4 P08684 9/20 0.44
CYP2C19 P33261 9/20 0.44
MAPT P10636 7/20 0.44
HPGD P15428 6/20 0.44
TSHR P16473 6/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP2D6 P10635 7/20 0.41
MAPK1 P28482 4/20 0.41
ALOX15 P16050 1/20 0.41
CLK4 Q9HAZ1 6/20 0.41
KCNN3 Q9UGI6 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL5332325 0.89 MAPT (0.45) MAPTCLK4KCNN3POLBLMNA
SCHEMBL5303639 0.87 LMNA (0.44) MAPTHPGDALDH1A1KDM4EHSD17B10
SCHEMBL5306369 0.87 TP53 (0.48) CYP1A2CYP3A4CYP2C19MAPTHPGD
SCHEMBL5306913 0.83 CDK2 (0.40) MAPTALDH1A1KDM4ETDP1POLB
SCHEMBL5306328 0.82 F2 (0.47) CYP1A2CYP2C19MAPTHPGDALDH1A1
SCHEMBL5304358 0.82 MAPT (0.45) CYP1A2MAPTTDP1MEN1KMT2A
SCHEMBL5311858 0.81 LMNA (0.43) MAPTHPGDKDM4EMAPK1KCNN3
SCHEMBL5306559 0.81 KDM4E (0.47) MAPTHPGDTSHRALDH1A1KDM4E
SCHEMBL5303090 0.81 MAPT (0.51) MAPTHPGDALDH1A1KDM4EHSD17B10
SCHEMBL5310789 0.79 TSHR (0.50) MAPTHPGDTSHRALDH1A1KDM4E

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