SCHEMBL7964478

SCHEMBL7964478

CC(C)(C)OC(=O)N1CCC(O)(c2cncc3ccccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.62
CYP11B1 P15538 1/20 0.46
GBA1 P04062 2/20 0.44
PIK3CD O00329 1/20 0.43
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
NAMPT P43490 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
ACHE P22303 1/20 0.41
DTYMK P23919 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 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
SCHEMBL24838586 0.79 CYP11B2 (0.53) CYP11B2CHRM2CHRM4CHRM1CHRM3
SCHEMBL7964475 0.78 CYP11B2 (0.41) CYP11B2CYP11B1
SCHEMBL21064298 0.77 OPRD1 (0.47) CYP11B2GBA1CHRM2CHRM4CHRM1
SCHEMBL3249913 0.77 OPRD1 (0.49) CYP11B2CHRM2CHRM4CHRM1CHRM3
SCHEMBL7965544 0.76 CYP11B2 (0.55) CYP11B2PIK3CDNAMPTGPR119
SCHEMBL2080003 0.76 PDK2 (0.47) CYP11B2CHRM2CHRM4CHRM1CHRM3
SCHEMBL653342 0.76 STS (0.47) GPR119TSHRALOX15ATMOPRD1
SCHEMBL3249164 0.76 GPR119 (0.47) CYP11B2CHRM2CHRM4CHRM1CHRM3
SCHEMBL3540066 0.76 TSHR (0.47) CYP11B2CHRM2CHRM4CHRM1CHRM3
SCHEMBL1513306 0.76 PDK2 (0.49) GPR119TSHRALOX15ATMOPRD1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1315830-A Method for treating anxiety disorders LILLY CO ELI (US) 2001-10-03 CN disclosed
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed