SCHEMBL3374622

SCHEMBL3374622

CC(C)c1noc(N2CCC(Oc3ccc(-c4ccc(-n5cnnn5)cc4F)cc3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.59
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR183 P32249 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL3342852 0.81 GPR119 (0.65) GPR119CYP3A4CYP2C19GPR183
SCHEMBL3376459 0.78 TP53 (0.48) GPR119SMN1; SMN2TP53MAPTMEN1
SCHEMBL3373094 0.77 SMN1; SMN2 (0.49) GPR119SMN1; SMN2TP53MAPTMEN1
SCHEMBL3374362 0.77 GPR119 (0.52) GPR119SMN1; SMN2TP53MAPTMEN1
SCHEMBL3374016 0.77 SMN1; SMN2 (0.49) GPR119SMN1; SMN2TP53MAPTMEN1
SCHEMBL3374964 0.77 SMN1; SMN2 (0.44) GPR119SMN1; SMN2TP53MAPTMEN1
SCHEMBL3371752 0.77 SMN1; SMN2 (0.44) GPR119SMN1; SMN2TP53MAPTMEN1
SCHEMBL13422305 0.77 SMN1; SMN2 (0.48) SMN1; SMN2TP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3370599 0.76 SMN1; SMN2 (0.47) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL13422781 0.76 SMN1; SMN2 (0.45) GPR119SMN1; SMN2TP53MAPTMEN1

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