SCHEMBL2596476

SCHEMBL2596476

C[C@H]1CNC(c2ccccc2Cl)CO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.38
SLC6A2 P23975 4/20 0.38
CHRNA7 P36544 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HTR2C P28335 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
TP53 P04637 2/20 0.35
KMT2A Q03164 1/20 0.34
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1333923 1.00 SLC6A3 (0.38) SLC6A3SLC6A2CHRNA7TAAR1HTR2C
SCHEMBL1333921 1.00 SLC6A3 (0.38) SLC6A3SLC6A2CHRNA7TAAR1HTR2C
SCHEMBL1335194 0.81 MEN1 (0.38) HTR2CHTR2BKMT2A
SCHEMBL1335109 0.81 MEN1 (0.38) HTR2CHTR2BKMT2A
SCHEMBL27742413 0.81 HTR2B (0.35) SLC6A3SLC6A2HTR2CHTR2AHTR2B
SCHEMBL28782592 0.78 SLC6A3 (0.47) SLC6A3SLC6A2HTR2CSMN1; SMN2HTR2A
SCHEMBL25478453 0.78 PRCP (0.31) SLC6A3SLC6A2HTR2B
SCHEMBL1334966 0.78 HTR2C (0.43) HTR2CHTR2AHTR2BKMT2AMAPT
SCHEMBL1334965 0.78 HTR2C (0.43) HTR2CHTR2AHTR2BKMT2AMAPT
SCHEMBL1334838 0.76 SLC6A2 (0.47) SLC6A3SLC6A2CHRNA7SMN1; SMN2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569310-A1 MORPHOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Pfizer Inc (US) 2013-03-20 EP disclosed
WO-2011141848-A1 MORPHOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER INC. (US) 2011-11-17 WO disclosed