SCHEMBL7840907

SCHEMBL7840907

CC(C)(C)OC(=O)N1CCC(CO)(Cc2cccc(O)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP11B2 P19099 1/20 0.39
TSHR P16473 2/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
GRM5 P41594 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
KDM1A O60341 1/20 0.38
POLB P06746 1/20 0.38
TACR1 P25103 1/20 0.38
NAMPT P43490 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
IDH1 O75874 1/20 0.37
IDH2 P48735 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL7840748 0.89 GRM5 (0.47) OPRD1OPRK1CYP11B2TSHRGRM5
SCHEMBL25225903 0.83 GPR119 (0.49) OPRD1OPRK1TSHRGRM5POLB
SCHEMBL7849927 0.82 OPRD1 (0.45) OPRD1OPRK1TACR1GPR119
SCHEMBL7838737 0.79 GRM5 (0.48) OPRD1OPRK1CYP11B2TSHRGRM5
SCHEMBL7840055 0.77 JAK2 (0.42) OPRD1OPRK1KDM1APOLBNAMPT
SCHEMBL7831085 0.76 ALDH1A1 (0.50) OPRD1OPRK1KDM1APOLBTACR1
SCHEMBL1880398 0.76 USP2 (0.51) TSHRALOX15ATMTACR1GPR119
SCHEMBL7840954 0.76 POLB (0.53) TSHRALOX15POLB
SCHEMBL25596625 0.76 NAMPT (0.57) OPRD1OPRK1NAMPTGPR119
SCHEMBL16049607 0.75 GPR4 (0.49) OPRD1OPRK1CYP11B2TSHRGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed