SCHEMBL22296359

SCHEMBL22296359

CCCCN(CC1CC1)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
BCHE P06276 4/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 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
SCHEMBL13472656 0.91 DRD2 (0.41) HTTCYP1A2DRD2DRD3ALDH1A1
SCHEMBL6660022 0.85 GNAI3 (0.39) HTTCYP1A2DRD2DRD3MAPT
SCHEMBL15746840 0.84 KCNH2 (0.38) ADH1CADH1AADH4
SCHEMBL13662616 0.84 DRD2 (0.40) HTTCYP1A2DRD2DRD3ALDH1A1
SCHEMBL23847122 0.82 CYP1A2 (0.45) HTTCYP1A2BCHE
Ammonia Solution, Strong SCHEMBL11361703 0.82 DRD2 (0.41) DRD2DRD3ALDH1A1PKM
SCHEMBL20026075 0.82 HTT (0.35) HTTDRD2DRD3ALDH1A1PKM
SCHEMBL16256932 0.81 CYP1A2 (0.48) CYP1A2BCHE
SCHEMBL172226 0.79 DRD2 (0.46) DRD2DRD3ALDH1A1PKM
SCHEMBL15746838 0.79 SMN1; SMN2 (0.36) HTTCYP1A2ALDH1A1ADH1CADH1A

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-3578185-B1 PROTON-BINDING POLYMERS FOR ORAL ADMINISTRATION TRICIDA INC (US) 2020-08-05 EP disclosed