SCHEMBL9284587

SCHEMBL9284587

CCc1c(C(N)=O)ccc(-c2ccccc2OC)c1N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.50
▸ ACVR1 Q04771 2/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ HTR3A P46098 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ ABCB1 P08183 1/20 0.39
▸ PARP1 P09874 1/20 0.38

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
SCHEMBL5517154 0.75 PARP1 (0.51) HTR2BLMNAMAPTPARP1
SCHEMBL8828686 0.73 HTR7 (0.44) HTR7HTR3AHTR3EHTR3BADRB1
SCHEMBL11284541 0.72 HTR1A (0.49) CYP2C19HTR6MAPTPARP1
SCHEMBL16600251 0.72 MAP2 (0.48) HTR7ACVR1TGFBR1HTR3AHTR3E
SCHEMBL3883327 0.71 SMARCA2 (0.42) HTR7ACVR1TGFBR1ADRB1HTR6
SCHEMBL9283309 0.70 DRD2 (0.52) HTR7HTR3AHTR3EHTR3BADRB1
SCHEMBL5193622 0.70 ACVR1 (0.49) HTR7ACVR1HTR6
SCHEMBL5399877 0.70 OPRM1 (0.57) HTR2BLMNAMAPTPARP1
SCHEMBL16466062 0.70 HTR7 (0.47) HTR7ACVR1TGFBR1HTR3AHTR3E
SCHEMBL6262440 0.70 RXFP1 (0.42) HTR7ACVR1TGFBR1ADRB1CYP2C19

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-1995030659-A1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINERGIC AGENTS, ESP. SELECTIVE FOR THE DOPAMINE D3 RECEPTOR WARNER-LAMBERT COMPANY (US) 1995-11-16 — — WO disclosed
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