SCHEMBL3957622

SCHEMBL3957622

O=C(NCCc1ccccc1)c1cccnc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
HDAC6 Q9UBN7 1/20 0.58
EGLN1 Q9GZT9 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MLYCD O95822 2/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL16771934 0.84 HDAC6 (0.53) RAB9ANPC1HDAC6SMN1; SMN2ALDH1A1
SCHEMBL16771953 0.83 HDAC6 (0.52) HDAC6EGLN1TSHRHSD17B10SMN1; SMN2
SCHEMBL16771954 0.83 HDAC6 (0.52) RAB9ANPC1HDAC6EGLN1TSHR
SCHEMBL557803 0.82 RAB9A (0.67) RAB9ANPC1EGLN1TSHRHSD17B10
SCHEMBL16384871 0.82 NPC1 (0.53) RAB9ANPC1HDAC6TSHRHSD17B10
SCHEMBL16771874 0.82 HDAC6 (0.51) RAB9ANPC1HDAC6EGLN1SMN1; SMN2
SCHEMBL16771955 0.82 HDAC6 (0.51) RAB9ANPC1HDAC6EGLN1TSHR
SCHEMBL16771902 0.82 HDAC6 (0.51) RAB9ANPC1HDAC6EGLN1TSHR
SCHEMBL16771901 0.81 HDAC6 (0.50) RAB9ANPC1HDAC6EGLN1TSHR
SCHEMBL16771899 0.80 HDAC6 (0.49) RAB9ANPC1HDAC6EGLN1TSHR

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-2079739-A2 PYRIDO[4,3-D]PYRIMIDIN-4(3H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2009-07-22 EP disclosed
WO-2008041118-A2 PYRIDO[4,3-D]PYRIMIDIN-4(3H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-04-10 WO disclosed