Sugi Predict

Sugi Predict / Compounds / SCHEMBL3885745

SCHEMBL3885745

SCHEMBL3885745

Nc1cccc(CC(c2ccc(C(=O)O)cc2)c2cccc(N)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.43
▸ ANPEP P15144 3/20 0.38
▸ BACE1 P56817 8/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ CTSD P07339 2/20 0.35
▸ ITGB3 P05106 2/20 0.35
▸ ITGAV P06756 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ APP P05067 2/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34

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 SCHEMBL6224043 0.99 CPB2 (0.43) CPB2ANPEPBACE1CSNK2A1CTSD
SCHEMBL4227353 0.84 RAB9A (0.47) CPB2BACE1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5248414 0.71 ITGB3 (0.52) BACE1ITGB3ITGAVITGA2BKCNH2
SCHEMBL18158012 0.70 CPB2 (0.43) CPB2BACE1CTSDITGB3ITGAV
SCHEMBL22775583 0.70 CYP1A2 (0.57) CPB2BACE1APP
SCHEMBL29604659 0.70 CYP1A2 (0.57) CPB2BACE1APP
SCHEMBL8262899 0.70 SLC6A2 (0.49) BACE1KCNA5KCNH2
SCHEMBL12730424 0.69 BACE1 (0.42) BACE1KCNA5KCNH2
SCHEMBL28671126 0.69 CPB2 (0.47) CPB2BACE1CTSDKDM4EALDH1A1
SCHEMBL3827265 0.67 BACE1 (0.48) BACE1APPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047425-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-22 — — EP disclosed
EP-1007026-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2002-08-07 — — EP disclosed
EP-1100506-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-06-26 — — EP disclosed
EP-1105389-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-10-17 — — EP disclosed
EP-1105389-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-06-13 — — EP disclosed
EP-1100506-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-05-23 — — EP disclosed
EP-0946165-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 — — EP disclosed
EP-0934305-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 — — EP disclosed
EP-1047425-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-11-02 — — EP disclosed
EP-1007026-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 2000-06-14 — — EP disclosed
WO-2000009503-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-24 — — WO disclosed
WO-2000006169-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 — — WO disclosed
EP-0946165-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-10-06 — — EP disclosed
EP-0934305-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-08-11 — — EP disclosed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 — — WO disclosed
WO-1998031359-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-07-23 — — WO disclosed
WO-1998018460-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-05-07 — — WO disclosed
WO-1998008840-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-03-05 — — WO disclosed