SCHEMBL7743680

SCHEMBL7743680

Cc1ccccc1-c1ccc2c(c1)CNCC2

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.72
S1PR1 P21453 1/20 0.52
PNMT P11086 5/20 0.50
CD44 P16070 1/20 0.50
MAOB P27338 1/20 0.50
GRIA1 P42261 1/20 0.48
CACNG8 Q8WXS5 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
Hydrochloric Acid SCHEMBL7746004 0.98 CD274 (0.71) CD274S1PR1PNMTCD44MAOB
SCHEMBL22807512 0.84 CD274 (1.00) CD274S1PR1PNMTCD44MAOB
SCHEMBL18554655 0.81 CD274 (0.53) CD274PNMTCD44MAOBADRA2A
SCHEMBL6634850 0.81 CD274 (0.67) CD274PNMTCD44MAOB
SCHEMBL18757033 0.80 CD274 (0.70) CD274PNMTCD44MAOB
SCHEMBL4663734 0.78 PNMT (0.59) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL30593253 0.78 PNMT (0.59) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL24842360 0.78 PNMT (0.56) CD274PNMTCD44MAOBADRA2A
SCHEMBL22866959 0.78 CD274 (0.86) CD274PNMTCD44MAOB
SCHEMBL6209523 0.78 ASIC3 (0.53) CD274PNMTCD44MAOBADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed