SCHEMBL7075188

SCHEMBL7075188

CC(C)(C)OC(=O)N1CCC(c2cc[c]cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.44
TACR1 P25103 1/20 0.44
GPR119 Q8TDV5 2/20 0.41
YAP1 P46937 3/20 0.41
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
PRMT5 O14744 2/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL6042351 0.89 REN (0.46) RENTACR1YAP1BACE1BACE2
SCHEMBL6043110 0.89 REN (0.46) RENTACR1YAP1BACE1BACE2
SCHEMBL6042241 0.89 REN (0.49) RENTACR1YAP1PRMT5JAK2
SCHEMBL6041545 0.89 REN (0.47) RENTACR1GPR119YAP1PRMT5
SCHEMBL7080920 0.87 REN (0.55) RENTACR1YAP1PRMT5
SCHEMBL6041532 0.87 REN (0.47) RENTACR1YAP1PRMT5
SCHEMBL4872229 0.86 REN (0.41) RENTACR1GPR119YAP1BACE1
SCHEMBL6041517 0.86 TACR1 (0.42) RENTACR1GPR119YAP1BACE1
SCHEMBL2807737 0.86 BACE1 (0.45) RENTACR1YAP1BACE1BACE2
SCHEMBL2807746 0.86 REN (0.44) RENTACR1YAP1BACE1BACE2

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed