SCHEMBL13422305

SCHEMBL13422305

Fc1cc(-n2cnnn2)ccc1-c1ccc(OC2CCNCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.46
MAPT P10636 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
KCNH2 Q12809 1/20 0.39
PRKCZ Q05513 1/20 0.39
CHEK2 O96017 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.38
ADRB2 P07550 1/20 0.38
APP P05067 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HRH1 P35367 1/20 0.37
KHK P50053 1/20 0.37

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
Hydrochloric Acid SCHEMBL3370599 0.99 SMN1; SMN2 (0.47) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL13422591 0.85 SLC6A2 (0.39) SMN1; SMN2TP53MAPTKCNH2
Hydrochloric Acid SCHEMBL3375634 0.84 SLC6A2 (0.38) SMN1; SMN2TP53KCNH2
SCHEMBL3374016 0.84 SMN1; SMN2 (0.49) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL3376459 0.81 TP53 (0.48) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL13422582 0.81 SMN1; SMN2 (0.42) SMN1; SMN2TP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3374464 0.80 SMN1; SMN2 (0.42) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL3373094 0.79 SMN1; SMN2 (0.49) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL3374362 0.79 GPR119 (0.52) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL13422781 0.79 SMN1; SMN2 (0.45) SMN1; SMN2TP53MAPTMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed