SCHEMBL11035949

SCHEMBL11035949

Cc1ccccc1NCCCN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.56
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.55
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
DRD3 P35462 1/20 0.51
KMT2A Q03164 1/20 0.51
ACP1 P24666 1/20 0.50
BACE1 P56817 1/20 0.50
PSMD14 O00487 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL791880 0.90 DRD3 (0.61) HRH3MAPTHTTCYP2D6CYP2C19
SCHEMBL4922627 0.89 DRD3 (0.63) HRH3MAPTHTTCYP2D6CYP2C19
SCHEMBL11713412 0.81 HRH3 (0.56) HRH3DRD3ACP1BACE1
SCHEMBL3874659 0.79 HRH3 (0.53) HRH3DRD3ACP1BACE1
Hydrochloric Acid SCHEMBL3876019 0.78 HRH3 (0.52) HRH3DRD3ACP1BACE1
SCHEMBL10831472 0.78 HRH3 (0.52) HRH3MAPTDRD3ACP1BACE1
SCHEMBL10831324 0.78 HRH3 (0.52) HRH3MAPTDRD3ACP1BACE1
SCHEMBL5929400 0.78 RAD52 (0.54) HRH3MAPTKMT2AACP1BACE1
Hydrochloric Acid SCHEMBL7465128 0.77 SLC6A2 (0.60) HRH3
SCHEMBL11090932 0.77 HRH3 (0.61) HRH3MAPTKMT2AACP1BACE1

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
JP-59062579-A None JP disclosed
JP-S5962579-A NOVEL ANILINE DERIVATIVE AND ITS PREPARATION NIPPON CHEMIPHAR CO LTD 1984-04-10 JP disclosed