SCHEMBL2341663

SCHEMBL2341663

NC(=O)C(CC1CC1)(c1ccccc1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.56
▸ BLM P54132 2/20 0.56
▸ SLC22A2 O15244 1/20 0.56
▸ SLC22A1 O15245 1/20 0.56
▸ PGR P06401 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ ADRB3 P13945 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ SLC47A1 Q96FL8 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CHRM3 P20309 9/20 0.51
▸ CHRM2 P08172 6/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ CETP P11597 2/20 0.39
▸ CYP2D6 P10635 2/20 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
SCHEMBL10467517 0.77 CHRM3 (0.65) TSHRCHRM3CHRM2CHRM1SMN1; SMN2
SCHEMBL8878800 0.74 CHRM3 (0.59) KCNH2CHRM3CHRM2CHRM1CYP2D6
Vamicamide SCHEMBL331820 0.73 KCNH2 (0.65) KCNH2BLMSLC22A2SLC22A1PGR
Vamicamide SCHEMBL9393264 0.73 KCNH2 (0.65) KCNH2BLMSLC22A2SLC22A1PGR
Vamicamide SCHEMBL30700593 0.73 KCNH2 (0.65) KCNH2BLMSLC22A2SLC22A1PGR
Disopyramide SCHEMBL23931452 0.72 KCNH2 (1.00) KCNH2BLMSLC22A2SLC22A1PGR
(S)-Disopyramide SCHEMBL41811 0.72 KCNH2 (1.00) KCNH2BLMSLC22A2SLC22A1PGR
Disopyramide SCHEMBL16153 0.72 KCNH2 (1.00) KCNH2BLMSLC22A2SLC22A1PGR
Vamicamide SCHEMBL9393357 0.72 KCNH2 (0.64) KCNH2BLMSLC22A2SLC22A1PGR
Vamicamide SCHEMBL4603765 0.72 KCNH2 (0.64) KCNH2BLMSLC22A2SLC22A1PGR

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-2358750-A2 COMPOSITIONS AND METHODS FOR MODULATING CELL-CELL FUSION VIA INTERMEDIATE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS Boehringer Ingelheim International GmbH (DE) 2011-08-24 — — EP disclosed
WO-2010053584-A2 COMPOSITIONS AND METHODS FOR MODULATING CELL-CELL FUSION VIA INTERMEDIATE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-14 — — WO disclosed
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