SCHEMBL7794044

SCHEMBL7794044

Cc1ccc(NC2CCCCCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MAPT P10636 4/20 0.59
POLB P06746 3/20 0.59
EPHX1 P07099 1/20 0.56
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
APAF1 O14727 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL169760 1.00 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL24016961 1.00 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL2478210 0.98 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL30514621 0.94 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL7794525 0.93 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL171236 0.89 POLB (0.47) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL11526941 0.89 MAPT (0.61) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL3400048 0.89 MAPT (0.61) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL78145 0.89 MAPT (0.61) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL11526739 0.86 MAPT (0.63) RAB9ANPC1SMN1; SMN2MAPTPOLB

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-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 WO disclosed