SCHEMBL3374016

SCHEMBL3374016

N#CN1CCC(Oc2ccc(-c3ccc(-n4cnnn4)cc3F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 5/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.40
ADRB2 P07550 1/20 0.40
APP P05067 3/20 0.36
NAAA Q02083 1/20 0.35
USP2 O75604 2/20 0.35
MAPK1 P28482 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2C9 P11712 1/20 0.34
USP30 Q70CQ3 2/20 0.33

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
SCHEMBL13422305 0.84 SMN1; SMN2 (0.48) SMN1; SMN2TP53MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL3370599 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TP53MAPTKMT2AMEN1
SCHEMBL3376459 0.82 TP53 (0.48) SMN1; SMN2TP53MAPTKMT2AMEN1
SCHEMBL3374362 0.79 GPR119 (0.52) SMN1; SMN2TP53MAPTKMT2AMEN1
SCHEMBL13422781 0.79 SMN1; SMN2 (0.45) SMN1; SMN2TP53MAPTKMT2AMEN1
SCHEMBL3373094 0.79 SMN1; SMN2 (0.49) SMN1; SMN2TP53MAPTKMT2AMEN1
SCHEMBL3372317 0.79 GPR119 (0.50) SMN1; SMN2TP53MAPTKMT2AMEN1
SCHEMBL3374964 0.78 SMN1; SMN2 (0.44) SMN1; SMN2TP53MAPTKMT2AMEN1
SCHEMBL3371752 0.78 SMN1; SMN2 (0.44) SMN1; SMN2TP53MAPTKMT2AMEN1
SCHEMBL3374622 0.77 GPR119 (0.59) SMN1; SMN2TP53MAPTKMT2AMEN1

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