SCHEMBL3374964

SCHEMBL3374964

Fc1cc(-n2cnnn2)ccc1-c1ccc(OC2CCN(c3nccc(Cl)n3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCD O00767 3/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.36
GPR119 Q8TDV5 5/20 0.36
KCNH2 Q12809 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL3371752 0.86 SMN1; SMN2 (0.44) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL3376459 0.85 TP53 (0.48) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL13422781 0.82 SMN1; SMN2 (0.45) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL3374362 0.82 GPR119 (0.52) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL3374016 0.78 SMN1; SMN2 (0.49) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL13422305 0.78 SMN1; SMN2 (0.48) SMN1; SMN2TP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3370599 0.77 SMN1; SMN2 (0.47) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL3374622 0.77 GPR119 (0.59) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL3373094 0.73 SMN1; SMN2 (0.49) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL3372317 0.73 GPR119 (0.50) 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 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