SCHEMBL21913875

SCHEMBL21913875

Cn1c2c(c3ccccc31)CCCC=C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.45
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ GPR3 P46089 1/20 0.42
▸ MAOA P21397 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ ALKBH5 Q6P6C2 1/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ NQO2 P16083 1/20 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
SCHEMBL9999764 0.90 ACHE (0.47) ACHEHTR2AHTR2CGPR3MAOA
SCHEMBL15722716 0.80 GPR3 (0.48) ACHEHTR2AHTR2CGPR3MAOA
SCHEMBL22044320 0.78 HPGD (0.47) ACHEHTR2AHTR2CGPR3MAOA
SCHEMBL24531884 0.77 GPR3 (0.42) ACHEHTR2AHTR2CGPR3MAOA
SCHEMBL21913127 0.74 HTR2A (0.43) HTR2AHTR2CGPR3KDM4EALOX15
SCHEMBL15128345 0.74 GPR3 (0.39) ACHEHTR2AHTR2CGPR3MAOA
SCHEMBL22298378 0.73 GPR3 (0.45) ACHEHTR2AHTR2CGPR3MAOA
SCHEMBL14133187 0.71 GPR3 (0.40) ACHEHTR2AHTR2CGPR3MAOA
SCHEMBL20824722 0.71 HTR2A (0.43) ACHEHTR2AHTR2CGPR3MAOA
SCHEMBL25638913 0.71 PDE5A (0.43) MAOAKDM4EALOX15MAPK1HSD17B10

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-3640252-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2020-04-22 — — EP disclosed
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