SCHEMBL5593301

SCHEMBL5593301

COCCCC[C@H](c1ccccc1OC(F)(F)F)[C@H]1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
ACP1 P24666 1/20 0.35
REN P00797 2/20 0.35
HTR2A P28223 4/20 0.34
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CXCR2 P25025 1/20 0.33
TACR1 P25103 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
SCHEMBL5592047 0.85 REN (0.34) SLC6A2SLC6A4RENHTR2ACCNT1
SCHEMBL3879197 0.84 SLC6A2 (0.38) SLC6A2SLC6A4RENCYP2D6KCNH2
SCHEMBL3881258 0.84 SLC6A2 (0.39) SLC6A2SLC6A4REN
SCHEMBL5320483 0.82 HTR2A (0.36) SLC6A2SLC6A4RENHTR2ACYP2D6
SCHEMBL5593564 0.80 SLC6A2 (0.34) SLC6A2SLC6A4REN
SCHEMBL5613173 0.79 SLC6A2 (0.36) SLC6A2SLC6A4RENHTR2ACCNT1
SCHEMBL4754589 0.78 REN (0.41) SLC6A2SLC6A4ACP1RENCYP2D6
SCHEMBL4755799 0.78 REN (0.41) SLC6A2SLC6A4ACP1RENCYP2D6
SCHEMBL5593634 0.78 SLC6A2 (0.41) SLC6A2SLC6A4RENCYP2D6KCNH2
SCHEMBL3941676 0.75 REN (0.33) SLC6A2SLC6A4REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed