SCHEMBL10958697

SCHEMBL10958697

Cc1cc(-c2ccsc2)nnc1NCCN1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.72
LMNA P02545 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2D6 P10635 1/20 0.72
CHRM1 P11229 1/20 0.72
CNR1 P21554 1/20 0.72
HTR2B P41595 1/20 0.72
KCNH2 Q12809 1/20 0.72
TDP1 Q9NUW8 1/20 0.72

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
Minaprine SCHEMBL49371 0.84 ACHE (1.00) ACHELMNACYP3A4CYP1A2CYP2D6
Minaprine SCHEMBL124094 0.83 CYP3A4 (1.00) ACHELMNACYP3A4CYP1A2CYP2D6
Minaprine SCHEMBL124092 0.83 CYP3A4 (1.00) ACHELMNACYP3A4CYP1A2CYP2D6
Minaprine SCHEMBL124093 0.82 ACHE (0.95) ACHELMNACYP3A4CYP1A2CYP2D6
Moxiraprine SCHEMBL635650 0.82 ACHE (0.80) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL10958038 0.80 ACHE (0.69) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL10748868 0.80 ACHE (0.77) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL10744195 0.80 ACHE (0.78) ACHELMNACYP3A4CYP1A2CYP2D6
SCHEMBL10958687 0.78 ACHE (0.43) ACHELMNACYP3A4CYP1A2CYP2D6
Morpholine SCHEMBL10958702 0.77 ACHE (0.43) ACHELMNACYP3A4CYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4524070-A Aminated derivatives of pyridazine substituted in 6 position by a heterocycle or an alicycle and compositions, said derivatives being active on the central nervous system SANOFI (FR) 1985-06-18 US claimed
US-4524070-A Aminated derivatives of pyridazine substituted in 6 position by a heterocycle or an alicycle and compositions, said derivatives being active on the central nervous system SANOFI (FR) 1985-06-18 US disclosed