SCHEMBL31232867

SCHEMBL31232867

O=C1c2ccccc2C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ SCN2A Q99250 1/20 0.54
▸ SIRT6 Q8N6T7 1/20 0.54

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
SCHEMBL11848610 0.89 KDM4E (0.64) HTR1APOLB
SCHEMBL31232796 0.86 SMN1; SMN2 (0.62) HTR1ASMN1; SMN2POLBSCN2A
SCHEMBL3026254 0.83 HTR1A (0.83) HTR1ASMN1; SMN2
SCHEMBL31232754 0.82 HTR1A (0.80) HTR1A
SCHEMBL31232816 0.81 ADRA1D (0.71) HTR1A
SCHEMBL31232843 0.81 ADRA1D (0.71) HTR1A
SCHEMBL10036171 0.81 HTR1A (0.69) HTR1A
SCHEMBL12431530 0.81 MAPT (0.70) HTR1APOLBSIRT6
SCHEMBL31232849 0.80 DRD2 (0.71) HTR1ASMN1; SMN2
SCHEMBL2517968 0.79 HTR1A (0.66) HTR1A

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-2024233922-A2 PYRIDINE-PIPERAZINE-BASED SCAFFOLDS AS HIGHLY POTENT AND SELECTIVE NEUROLYSIN ACTIVATORS TEXAS TECH UNIVERSITY SYSTEM (US) 2024-11-14 — — WO disclosed
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