SCHEMBL7389170

SCHEMBL7389170

CCCOC1CN[C@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP2C19 P33261 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
ARG1 P05089 1/20 0.39
LMNA P02545 2/20 0.34
BLM P54132 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 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
SCHEMBL13675316 1.00 CYP2D6 (0.44) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL7389167 1.00 CYP2D6 (0.44) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL8295094 1.00 CYP2D6 (0.44) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL2339279 1.00 CYP2D6 (0.44) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL2339280 1.00 CYP2D6 (0.44) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL18607675 0.90 CYP1A2 (0.42) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL11942388 0.90 CYP1A2 (0.42) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL30062834 0.90 CYP1A2 (0.42) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL3450013 0.86 CYP2D6 (0.47) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL21896074 0.86 CYP2D6 (0.47) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670619-A DECAPEPTIDES FOR TREATMENT OF HYPERTENSION HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed
EP-0548825-B1 Bradykinin-antagonists for the treatment of acute pancreatitis HOECHST AG (DE) 1997-05-07 EP disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618809-A1 BRADYKININ TYPE PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
EP-0618809-A4 BRADYKININ TYPE PEPTIDES. SCIOS NOVA INC (US) 1994-07-28 EP disclosed
EP-0548825-A1 Bradykinin-antagonists for the treatment of acute pancreatitis HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed
WO-1992018155-A1 BRADYKININ TYPE PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed