SCHEMBL3704261

SCHEMBL3704261

Cc1ccccc1N1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
ALOX12 P18054 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GPR119 Q8TDV5 5/20 0.54
KDM4E B2RXH2 4/20 0.51
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OGFRL1 Q5TC84 1/20 0.50
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
SLC18A3 Q16572 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3436307 0.87 AKR1C3 (0.57) GAASMN1; SMN2GPR119TSHRLMNA
SCHEMBL13698470 0.86 SMN1; SMN2 (0.74) GAAALOX12SMN1; SMN2KDM4ELMNA
SCHEMBL2959519 0.85 GPR119 (0.74) GPR119KDM4EMAPTALDH1A1KMT2A
SCHEMBL30185679 0.82 CKS1B (0.56) GAASMN1; SMN2GPR119TSHRLMNA
SCHEMBL5235727 0.82 CKS1B (0.56) GAASMN1; SMN2GPR119TSHRLMNA
SCHEMBL28517145 0.79 GAA (0.49) GAAALOX12SMN1; SMN2GPR119KDM4E
SCHEMBL21876050 0.78 GPR119 (0.55) GAAALOX12SMN1; SMN2GPR119OPRM1
SCHEMBL8352974 0.78 GPR119 (0.59) GPR119LMNAMAPTALDH1A1KMT2A
SCHEMBL21876731 0.78 GPR119 (0.59) GPR119LMNAMAPTALDH1A1KMT2A
SCHEMBL8355282 0.78 GPR119 (0.53) GAAALOX12SMN1; SMN2GPR119KDM4E

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-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO disclosed