SCHEMBL14978692

SCHEMBL14978692

COC(=O)c1ccc(CN2CCN(C3CCN(C(=O)O)CC3)C2=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
PDE10A Q9Y233 1/20 0.40
BDKRB1 P46663 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RORC P51449 3/20 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
SCHEMBL14966358 0.88 TP53 (0.50) BTKPDE10ATP53KDM4E
SCHEMBL14978752 0.87 BTK (0.41) BTKPDE10ABDKRB1ALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL14970184 0.84 PDE10A (0.38) BTKPDE10ABDKRB1ALDH1A1CYP1A2
SCHEMBL14969683 0.79 CYP2C9 (0.43) BTKALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16169605 0.73 TP53 (0.61) TP53KDM4E
SCHEMBL20236498 0.73 ADRB2 (0.50) ALDH1A1CYP2C9LMNAADRB2
SCHEMBL3652239 0.72 RBP4 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL14969496 0.72 TP53 (0.64) TP53LMNAKDM4E
SCHEMBL14978690 0.72 GPR119 (0.42) BTKTP53RORC
SCHEMBL14978691 0.72 TP53 (0.37) TP53LMNA

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-2013074641-A1 PIPERIDINYL- SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-23 WO disclosed