SCHEMBL5026265

SCHEMBL5026265

CC(=O)C(c1ccccc1)(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 1/20 0.55
▸ CYP2D6 P10635 2/20 0.50
▸ MAOB P27338 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM4 P08173 1/20 0.50
▸ CHRM5 P08912 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ CHRM3 P20309 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ ADRA1D P25100 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50

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
SCHEMBL4185164 0.92 KCNH2 (0.57) KMT2AMEN1CYP2D6CHRM2ADRA2A
SCHEMBL3860853 0.86 OPRM1 (0.51) KMT2AMEN1CYP2D6MAOBCHRM2
SCHEMBL5026280 0.85 HRH3 (0.44) KMT2ACYP2D6CHRM1KCNH2ALDH1A1
SCHEMBL4669298 0.76 OPRM1 (0.58) KMT2AMEN1CYP2D6MAOBCHRM2
Cyclizine SCHEMBL5656056 0.74 CYP2D6 (0.82) KMT2AMEN1CYP2D6MAOBCHRM2
SCHEMBL13994872 0.74 KMT2A (1.00) KMT2AMEN1CYP2D6MAOBALDH1A1
SCHEMBL13900792 0.74 OPRM1 (0.63) KMT2AMEN1CYP2D6MAOBCHRM2
SCHEMBL3919536 0.73 OPRM1 (0.78) KMT2AMEN1CYP2D6MAOBCHRM2
SCHEMBL8175607 0.73 OPRM1 (0.78) KMT2AMEN1CYP2D6MAOBCHRM2
SCHEMBL7977689 0.73 OPRM1 (0.78) KMT2AMEN1CYP2D6MAOBCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871372-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN Neuromed Pharmaceuticals, Ltd. (CA) 2008-01-02 — — EP claimed
WO-2006105670-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN NEUROMED PHARMACEUTICALS LTD. (CA) 2006-10-12 — — WO claimed
WO-2022216953-A1 COMPOUNDS FOR USE IN INCREASING FOXG1 EXPRESSION BELIEVE IN A CURE, INC. (US) 2022-10-13 — — WO disclosed
EP-2654726-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF Zalicus Pharmaceuticals Ltd. (CA) 2013-10-30 — — EP disclosed
WO-2012122274-A1 SELF-EMULSIFYING FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-13 — — WO disclosed
WO-2012122279-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-13 — — WO disclosed
EP-1871372-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN Neuromed Pharmaceuticals, Ltd. (CA) 2008-01-02 — — EP disclosed
WO-2006105670-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN NEUROMED PHARMACEUTICALS LTD. (CA) 2006-10-12 — — WO disclosed
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