SCHEMBL7705959

SCHEMBL7705959

Cc1cccc(NC2(C#N)CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
OPRM1 P35372 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA4 P22748 3/20 0.47
CA5A P35218 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA13 Q8N1Q1 3/20 0.47
CA14 Q9ULX7 3/20 0.47
LMNA P02545 2/20 0.46
FAAH O00519 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46

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
SCHEMBL2985757 0.87 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1OPRM1CA12CA1
SCHEMBL6045751 0.87 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL7706443 0.86 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1OPRM1CA12CA1
SCHEMBL20187096 0.86 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1MAPTOPRM1
SCHEMBL593215 0.86 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1OPRM1CA12CA1
SCHEMBL16876738 0.83 SMN1; SMN2 (0.53) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL11565080 0.83 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1MAPTOPRM1
SCHEMBL16876702 0.82 SMN1; SMN2 (0.55) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL4213929 0.81 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL16876707 0.81 SMN1; SMN2 (0.56) SMN1; SMN2OPRM1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921125-B1 1,3,8-Triazaspiro[4,5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2002-01-30 EP disclosed
EP-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 EP disclosed
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-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 EP disclosed
US-6172076-B1 HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS MERCK & CO., INC. 2001-01-09 US disclosed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 WO 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