SCHEMBL7840748

SCHEMBL7840748

Cc1cccc(CC2(CO)CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP11B2 P19099 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
GPR4 P46093 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 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

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
SCHEMBL7838737 0.90 GRM5 (0.48) GRM5JAK2JAK1OPRD1OPRK1
SCHEMBL7840907 0.89 OPRD1 (0.40) GRM5OPRD1OPRK1CYP11B2GPR119
SCHEMBL29686152 0.86 GPR4 (0.49) GRM5JAK2JAK1OPRD1OPRK1
SCHEMBL16049607 0.86 GPR4 (0.49) GRM5JAK2JAK1OPRD1OPRK1
SCHEMBL25225903 0.83 GPR119 (0.49) GRM5JAK2JAK1OPRD1OPRK1
SCHEMBL7849927 0.82 OPRD1 (0.45) OPRD1OPRK1GPR119ALDH1A1TACR1
SCHEMBL7840055 0.79 JAK2 (0.42) JAK2JAK1OPRD1OPRK1GPR119
SCHEMBL29845446 0.79 GAA (0.38) GRM5OPRD1ALDH1A1ALOX15KDM1A
SCHEMBL7831085 0.79 ALDH1A1 (0.50) OPRD1OPRK1GPR119ALDH1A1KDM1A
SCHEMBL7840954 0.78 POLB (0.53) ALDH1A1ALOX15TSHRPOLB

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