SCHEMBL4431363

SCHEMBL4431363

CC(C)(C)N1CCN(c2ccc(COCCF)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.41
▸ DRD2 P14416 4/20 0.41
▸ DRD3 P35462 4/20 0.41
▸ GRM5 P41594 4/20 0.37
▸ APP P05067 3/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CHKA P35790 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ME2 P23368 1/20 0.33
▸ ME1 P48163 1/20 0.33
▸ ME3 Q16798 1/20 0.33

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
SCHEMBL24240107 0.84 CHKA (0.49) DRD4DRD2DRD3ALDH1A1KMT2A
SCHEMBL4422645 0.79 DRD2 (0.56) DRD4DRD2DRD3ME2ME1
SCHEMBL3112641 0.78 DDB1 (0.55) MEN1ALDH1A1KMT2A
SCHEMBL16216149 0.78 GRM5 (0.43) DRD4DRD2DRD3GRM5TSHR
SCHEMBL10305090 0.78 ADRB1 (0.46) DRD4DRD2DRD3TSHRALDH1A1
SCHEMBL3819497 0.77 MAPT (0.40) ALDH1A1KMT2ACHKACTSLCTSB
Hydrochloric Acid SCHEMBL3108154 0.77 ADRB1 (0.45) DRD4DRD2DRD3TSHRALDH1A1
SCHEMBL3122680 0.76 GRM5 (0.53) GRM5MEN1ALDH1A1KMT2AME2
SCHEMBL3110614 0.75 CHIA (0.52) DRD4DRD2DRD3GRM5ALDH1A1
SCHEMBL13179270 0.75 KDM4E (0.49) TSHRMEN1ALDH1A1KMT2ACHKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114873-A2 LIGANDS FOR IMAGING CARDIAC INNERVATION Lantheus Medical Imaging, Inc. (US) 2009-11-11 — — EP disclosed
WO-2008083056-A2 LIGANDS FOR IMAGING CARDIAC INNERVATION LANTHEUS MEDICAL IMAGING, INC. (US) 2008-07-10 — — WO disclosed
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