SCHEMBL29295397

SCHEMBL29295397

CN1CCN(CCNc2nnc(-c3ccccc3)cc2C#N)CC1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.78
LMNA P02545 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CHRM1 P11229 1/20 0.56
CNR1 P21554 1/20 0.56
HTR2B P41595 1/20 0.56
KCNH2 Q12809 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PGK1 P00558 2/20 0.50
TLR9 Q9NR96 1/20 0.44

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
SCHEMBL29295389 0.88 ACHE (0.62) ACHELMNACYP3A4CYP1A2CYP2D6
Bazinaprine SCHEMBL499295 0.88 ACHE (1.00) ACHELMNACYP3A4CYP1A2CYP2D6
Bazinaprine SCHEMBL10830678 0.87 ACHE (0.98) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL29295396 0.84 ACHE (0.65) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL31759026 0.83 ACHE (0.82) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL29295393 0.83 ACHE (0.56) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL1753124 0.78 ACHE (0.62) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL29295388 0.76 ACHE (0.54) ACHELMNACYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10830590 0.75 ACHE (0.70) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL12691782 0.75 ACHE (0.58) ACHELMNACYP1A2

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-2024148148-A1 PYRIDAZINE BASED SMALL MOLECULE INHIBITOR OF COGNITIVE IMPAIRMENT THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-07-11 WO disclosed