SCHEMBL7675883

SCHEMBL7675883

CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1-c1cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
POLB P06746 1/20 0.48
PDK2 Q15119 1/20 0.47
GPR119 Q8TDV5 4/20 0.47
AKT1 P31749 1/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
DTYMK P23919 1/20 0.42
KDM1A O60341 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GRM5 P41594 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL7675108 0.87 POLB (0.52) OPRD1OPRK1POLBPDK2GPR119
SCHEMBL7672325 0.79 DRD2 (0.51) PDK2
SCHEMBL31694131 0.78 POLB (0.49) OPRD1OPRK1POLBGPR119AKT1
SCHEMBL12175457 0.77 POLB (0.48) OPRD1OPRK1POLBGPR119AKT1
SCHEMBL1435080 0.77 POLB (0.48) OPRD1OPRK1POLBGPR119AKT1
SCHEMBL20510139 0.77 POLB (0.48) OPRD1OPRK1POLBGPR119DTYMK
SCHEMBL1435078 0.77 POLB (0.48) OPRD1OPRK1POLBGPR119AKT1
SCHEMBL22770411 0.77 POLB (0.48) OPRD1OPRK1POLBGPR119DTYMK
SCHEMBL3436213 0.77 POLB (0.50) OPRD1OPRK1POLBGPR119AKT1
SCHEMBL20511867 0.76 OPRD1 (0.49) OPRD1OPRK1PDK2GPR119SMARCA2

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
US-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed