SCHEMBL9464601

SCHEMBL9464601

c1ccc(-c2ncc(NCCN3CCCCC3)nn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.76
SIGMAR1 Q99720 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ACP1 P24666 3/20 0.48
SMARCA2 P51531 1/20 0.47

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
SCHEMBL1752809 0.78 ACHE (1.00) ACHE
SCHEMBL9464933 0.74 ACHE (0.63) ACHECYP1A2CYP2D6ACP1SMARCA2
SCHEMBL31690833 0.73 HRH3 (0.56) ACHESIGMAR1CYP1A2CYP2C19
SCHEMBL9464597 0.72 ACHE (0.59) ACHECYP1A2CYP2D6CYP2C19
SCHEMBL9464834 0.72 ACHE (0.54) ACHESIGMAR1CYP1A2CYP2D6CYP2C19
SCHEMBL9464562 0.72 ACHE (0.54) ACHESIGMAR1CYP1A2CYP2D6CYP2C19
SCHEMBL28007048 0.71 HRH3 (0.54) ACHESIGMAR1CYP1A2CYP2C19
SCHEMBL12691346 0.71 ACHE (0.85) ACHE
SCHEMBL1753217 0.71 ACHE (0.57) ACHESIGMAR1
SCHEMBL1753197 0.71 ACHE (0.57) ACHESIGMAR1

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-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 US disclosed