SCHEMBL29295396

SCHEMBL29295396

CN1CCN(CCNc2nnc(-c3ccccc3)cc2-c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.65
CYP3A4 P08684 2/20 0.64
LMNA P02545 2/20 0.64
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CHRM1 P11229 1/20 0.62
CNR1 P21554 1/20 0.62
HTR2B P41595 1/20 0.62
KCNH2 Q12809 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
FGFR1 P11362 1/20 0.52
KDR P35968 1/20 0.52
TLR9 Q9NR96 1/20 0.48

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
SCHEMBL29295388 0.90 ACHE (0.54) ACHECYP3A4LMNACYP1A2CYP2D6
SCHEMBL31759026 0.89 ACHE (0.82) ACHECYP3A4LMNACYP1A2CYP2D6
SCHEMBL29295392 0.86 ACHE (0.50) ACHECYP3A4LMNACYP1A2CYP2D6
SCHEMBL1752978 0.86 LMNA (0.80) ACHECYP3A4LMNACYP1A2CYP2D6
SCHEMBL29295397 0.84 ACHE (0.78) ACHECYP3A4LMNACYP1A2CYP2D6
SCHEMBL29295390 0.82 CSNK1D (0.51) ACHECYP3A4LMNACYP1A2CYP2D6
SCHEMBL1752932 0.81 LMNA (0.72) ACHECYP3A4LMNACYP1A2CYP2D6
SCHEMBL16853222 0.80 ACHE (0.73) ACHECYP3A4LMNACYP1A2CYP2D6
SCHEMBL29295394 0.79 KAT2B (0.44) ACHECYP3A4LMNACYP1A2CYP2D6
SCHEMBL1752900 0.79 ACHE (1.00) ACHECYP3A4LMNACYP1A2CYP2D6

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