SCHEMBL4349596

SCHEMBL4349596

CN1CCC(N(C)C(=O)COc2cccc3ccccc23)CC1.CN1CCC(N(C)C(=O)CSc2cccc3cccc(Cl)c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HPGD P15428 2/20 0.39
PREP P48147 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
OPRK1 P41145 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR6 P50406 2/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3047400 0.88 ALDH1A1 (0.47) POLBRXFP1ALDH1A1MAPTHPGD
SCHEMBL3042587 0.85 POLB (0.69) POLBTSHRALDH1A1MAPTNPSR1
SCHEMBL3050521 0.79 POLB (0.71) POLBSIGMAR1ALDH1A1MAPTNPSR1
SCHEMBL3049283 0.77 POLB (0.65) POLBSIGMAR1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL9540114 0.73 L3MBTL1 (0.61) POLBTSHRALDH1A1MAPTNPSR1
SCHEMBL3051897 0.71 POLB (0.73) POLBTSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL28483843 0.71 ALDH1A1 (0.47) POLBSIGMAR1ALDH1A1MAPTNPC1
SCHEMBL30522694 0.71 ALDH1A1 (0.47) POLBSIGMAR1ALDH1A1MAPTNPC1
SCHEMBL4340461 0.70 POLB (0.57) POLBSIGMAR1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL3045304 0.70 HTR2A (0.45) POLBALDH1A1

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
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP claimed