SCHEMBL7832066

SCHEMBL7832066

Cc1cccc(CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.47
KDM1A O60341 1/20 0.47
JAK1 P23458 5/20 0.44
JAK2 O60674 4/20 0.44
TACR1 P25103 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
GRM5 P41594 2/20 0.40
POLB P06746 1/20 0.40
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL29453763 0.88 SMN1; SMN2 (0.47) GPR119JAK1JAK2TACR1OPRD1
SCHEMBL29453778 0.88 JAK1 (0.48) GPR119JAK1JAK2TACR1OPRD1
SCHEMBL22719338 0.88 JAK1 (0.48) GPR119JAK1JAK2TACR1OPRD1
SCHEMBL5811135 0.88 OPRD1 (0.49) GPR119JAK1JAK2TACR1OPRD1
SCHEMBL22719225 0.86 KMT2A (0.49) GPR119KDM1AJAK1JAK2MEN1
SCHEMBL22719208 0.86 TACR1 (0.52) GPR119JAK1JAK2TACR1OPRD1
SCHEMBL22719198 0.85 HRH3 (0.42) GPR119TACR1OPRD1OPRK1SMN1; SMN2
SCHEMBL5205724 0.85 ALDH1A1 (0.47) GPR119JAK1TACR1OPRD1OPRK1
SCHEMBL29453679 0.84 PPIA (0.44) GPR119JAK1JAK2TACR1OPRD1
SCHEMBL22719159 0.84 PPIA (0.44) GPR119JAK1JAK2TACR1OPRD1

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