SCHEMBL6170436

SCHEMBL6170436

CC(C)(C)OC(=O)[C@]1(CC(=O)O)CCCN1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
CYP2C19 P33261 1/20 0.33
SLC6A2 P23975 6/20 0.32
SLC6A4 P31645 6/20 0.32
SLC6A3 Q01959 6/20 0.32
CYP2D6 P10635 5/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL17395338 1.00 ARG1 (0.37) ARG1ARG2CYP2C19SLC6A2SLC6A4
SCHEMBL2334849 0.95 CYP2C19 (0.36) ARG1ARG2CYP2C19
SCHEMBL17395342 0.94 CYP2C19 (0.39) ARG1ARG2CYP2C19
SCHEMBL17395386 0.92 CYP2C19 (0.32) CYP2C19
SCHEMBL5730696 0.79 CTSK (0.34) ARG1ARG2SLC6A2SLC6A4SLC6A3
SCHEMBL7978321 0.78
SCHEMBL8116636 0.78 ARG1 (0.40) ARG1ARG2SLC6A2SLC6A4SLC6A3
SCHEMBL31603414 0.76 NPSR1 (0.33) ARG1ARG2CYP2C19
SCHEMBL4334068 0.76 CYP2C19 (0.39) CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL5442859 0.76 ARG1 (0.53) ARG1ARG2CYP2C19SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016003296-A1 (QUINOLINE OR ISOQUINOLINE)SULFONAMIDES OF CYCLIC AMINES AS ANTIPSYCHOTIC DRUGS INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2016-01-07 WO disclosed
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 WO disclosed