SCHEMBL13669690

SCHEMBL13669690

IN1CCC(NCc2ccccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.49
▸ MAOA P21397 4/20 0.48
▸ MAOB P27338 4/20 0.48
▸ KDM1A O60341 2/20 0.48
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL662711 0.85 MAOA (0.57) VCPMAOAMAOBKDM1AALDH1A1
SCHEMBL13321381 0.85 VCP (0.49) VCPMAOAMAOBKDM1AHTR1D
Hydrochloric Acid SCHEMBL4799055 0.84 MAOA (0.55) VCPMAOAMAOBKDM1AALDH1A1
SCHEMBL14862724 0.82 MAOA (0.54) VCPMAOAMAOBKDM1AALDH1A1
SCHEMBL31706160 0.82 MAOA (0.54) VCPMAOAMAOBKDM1AHRH3
SCHEMBL13300917 0.81 HRH3 (0.47) VCPMAOAMAOBKDM1AHTR1D
SCHEMBL8778016 0.81 HPGD (0.55) MAOAMAOBKDM1AHRH3ALDH1A1
SCHEMBL5863593 0.81 HPGD (0.55) MAOAMAOBKDM1AHRH3ALDH1A1
Hydrochloric Acid SCHEMBL16464069 0.81 MAOA (0.53) VCPMAOAMAOBKDM1AALDH1A1
SCHEMBL25103815 0.79 HRH3 (0.47) VCPMAOAMAOBKDM1AHTR1D

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
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 — — WO disclosed
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