SCHEMBL8828580

SCHEMBL8828580

CCCNc1ncc(N2CCNCC2)c(-c2ccccc2OC)c1C(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.43
▸ HTR2B P41595 2/20 0.43
▸ HTR3A P46098 2/20 0.41
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
Hydrochloric Acid SCHEMBL8828507 0.99 HTR7 (0.43) HTR7HTR2BHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL8828687 0.92 HTR7 (0.42) HTR7HTR2BHTR3AHTR3EHTR3B
SCHEMBL8828529 0.89 SMARCA2 (0.39) HTR7DRD2
Hydrochloric Acid SCHEMBL8828690 0.86 EGLN1 (0.37) HTR6
SCHEMBL8828467 0.75 — —
Hydrochloric Acid SCHEMBL8828741 0.75 — —
Hydrochloric Acid SCHEMBL8828570 0.73 HTR7 (0.39) HTR7HTR2BLMNAMAPT
SCHEMBL8828686 0.73 HTR7 (0.44) HTR7HTR2BHTR3AHTR3EHTR3B
SCHEMBL8828643 0.72 FLT3 (0.33) HTR7
SCHEMBL8828461 0.69 HTR1A (0.47) MAPT

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
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 — — US disclosed
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