SCHEMBL1709391

SCHEMBL1709391

COC(=O)C[C@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 6/20 0.46
TACR1 P25103 7/20 0.45
MAOA P21397 2/20 0.41
CCR2 P41597 2/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TEAD1 P28347 1/20 0.37

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
SCHEMBL1709392 0.96 MAOA (0.44) SSTR3TACR1MAOACCR2KDM1A
SCHEMBL1709386 0.91 MAOA (0.48) TACR1MAOACCR2KDM1AMAOB
SCHEMBL1709387 0.88 SSTR3 (0.44) SSTR3MAOAKDM1AMAOB
SCHEMBL1709467 0.79 TACR1 (0.41) TACR1
SCHEMBL1709388 0.77 MAOA (0.45) TACR1MAOAKDM1AMAOB
SCHEMBL1709396 0.74 ALDH1A1 (0.38) TACR1
SCHEMBL4495364 0.73 CCR2 (0.47) SSTR3MAOACCR2KDM1AMAOB
SCHEMBL4481286 0.73 CCR2 (0.47) SSTR3MAOACCR2KDM1AMAOB
SCHEMBL10033002 0.72 SLC6A2 (0.37) TACR1POLB
SCHEMBL1709470 0.71 KDM4E (0.40) POLB

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