SCHEMBL7376129

SCHEMBL7376129

ClCSc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
BACE1 P56817 8/20 0.45
CYP2A6 P11509 2/20 0.44
MAP2K2 P36507 1/20 0.42
MAP2K1 Q02750 1/20 0.42
LMNA P02545 2/20 0.41
STAT3 P40763 1/20 0.41
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL9770073 0.81 BACE1 (0.56) ANPEPBACE1MAP2K2MAP2K1LMNA
SCHEMBL28251159 0.81 ANPEP (0.53) ANPEPBACE1CYP2A6MAP2K2MAP2K1
SCHEMBL29738643 0.81 BACE1 (0.56) ANPEPBACE1MAP2K2MAP2K1LMNA
SCHEMBL30418057 0.79 BACE1 (0.55) ANPEPBACE1CYP2A6LMNASTAT3
SCHEMBL453379 0.77 ANPEP (0.50) ANPEPBACE1CYP2A6MAP2K2MAP2K1
SCHEMBL5282055 0.77 CYP2A6 (0.50) ANPEPBACE1CYP2A6MAP2K2MAP2K1
SCHEMBL6493935 0.77 CYP2A6 (0.50) ANPEPBACE1CYP2A6MAP2K2MAP2K1
SCHEMBL10914762 0.77 AGXT (0.44) CYP2A6LMNASMN1; SMN2
SCHEMBL30417509 0.77 CNR2 (0.56) ANPEPBACE1CYP2A6LMNACNR2
SCHEMBL30418036 0.77 CNR2 (0.56) ANPEPBACE1CYP2A6LMNACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071751-C Reversible protease inhibitors ARRIS PHARM CORP (US) 2001-09-26 CN disclosed
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
CN-1184472-A Reversible protease inhibitors ARRIS PHARM CORP (US) 1998-06-10 CN disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed
EP-0712404-A1 NOVEL BENZOTHIOPHENE ANALOGS AS ANTIVIRAL AGENTS STANFORD RES INST INT (US) 1996-05-22 EP disclosed