SCHEMBL3228172

SCHEMBL3228172

Cc1cc(OCC[C@@H](C)C2CCNCC2)cc(C)c1Br

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ SLC6A4 P31645 12/20 0.34
▸ SLC6A2 P23975 11/20 0.34
▸ SLC6A3 Q01959 10/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SIGMAR1 Q99720 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
SCHEMBL26635615 0.86 SLC6A4 (0.37) LMNASLC6A4SLC6A2SLC6A3MAPT
SCHEMBL26636833 0.86 SLC6A4 (0.37) LMNASLC6A4SLC6A2SLC6A3MAPT
SCHEMBL26635618 0.86 SLC6A4 (0.37) LMNASLC6A4SLC6A2SLC6A3MAPT
SCHEMBL27810438 0.82 THRB (0.38) ALDH1A1HPGDSLC6A4SLC6A2SLC6A3
SCHEMBL12103645 0.82 THRB (0.38) ALDH1A1HPGDSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL1295966 0.81 THRB (0.38) ALDH1A1SLC6A4SLC6A2SLC6A3MAPK1
Hydrochloric Acid SCHEMBL1295968 0.81 THRB (0.38) ALDH1A1SLC6A4SLC6A2SLC6A3MAPK1
SCHEMBL12103606 0.77 MAPK1 (0.41) ALDH1A1SLC6A4SLC6A2MAPK1
SCHEMBL27810440 0.77 MAPK1 (0.41) ALDH1A1SLC6A4SLC6A2MAPK1
Hydrochloric Acid SCHEMBL1295995 0.76 MAPK1 (0.40) ALDH1A1SLC6A4SLC6A2SLC6A3MAPK1

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-2010004343-A1 PIPERIDINYL GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 — — WO disclosed
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