SCHEMBL3376459

SCHEMBL3376459

Fc1cnc(N2CCC(Oc3ccc(-c4ccc(-n5cnnn5)cc4F)cc3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR119 Q8TDV5 8/20 0.41
KCNH2 Q12809 1/20 0.41
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
ADRB2 P07550 1/20 0.39
SCD O00767 1/20 0.36

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
SCHEMBL13422781 0.91 SMN1; SMN2 (0.45) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3374362 0.91 GPR119 (0.52) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3374964 0.85 SMN1; SMN2 (0.44) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3374016 0.82 SMN1; SMN2 (0.49) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3371752 0.81 SMN1; SMN2 (0.44) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13422305 0.81 SMN1; SMN2 (0.48) TP53SMN1; SMN2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3370599 0.81 SMN1; SMN2 (0.47) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3372327 0.80 GPR119 (0.49) GPR119KCNH2
SCHEMBL3371738 0.79 GPR119 (0.60) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3374622 0.78 GPR119 (0.59) TP53SMN1; SMN2MAPTMEN1KMT2A

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