SCHEMBL1709494

SCHEMBL1709494

C=C(O)C[C@@H]1CC[C@@H](N(CC2CCCC2)CC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HSD11B1 P28845 1/20 0.32
KDM1A O60341 2/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 2/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MCHR1 Q99705 1/20 0.31
DPEP1 P16444 1/20 0.31
FFAR1 O14842 3/20 0.30
P2RY14 Q15391 2/20 0.30

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
SCHEMBL1709403 0.99 HTR2C (0.34) HTR2CHTR2AHTR7HSD11B1KDM1A
SCHEMBL1709443 0.99 HTR2C (0.34) HTR2CHTR2AHTR7HSD11B1KDM1A
SCHEMBL1709404 0.99 HTR2C (0.34) HTR2CHTR2AHTR7HSD11B1KDM1A
SCHEMBL10032822 0.93 HTR2C (0.33) HTR2CHTR2AHTR7HSD11B1KDM1A
SCHEMBL1709450 0.93 HTR2C (0.33) HTR2CHTR2AHTR7HSD11B1KDM1A
SCHEMBL10032823 0.91 HTR2C (0.34) HTR2CHTR2AHTR7HSD11B1KDM1A
SCHEMBL1709402 0.89 HTR2C (0.34) HTR2CHTR2AHTR7HSD11B1KDM1A
SCHEMBL2317127 0.89 PSEN1 (0.41) HTR2CHSD11B1MAOAPSEN1PSEN2
SCHEMBL2315528 0.88 PSEN1 (0.40) HTR2CHTR2AHTR7HSD11B1MAOA
SCHEMBL1709485 0.88 PSEN1 (0.40) HTR2CHTR2AHTR7HSD11B1MAOA

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-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed