SCHEMBL8209787

SCHEMBL8209787

CC(c1cn(C(=O)c2ccccc2)c2ccc(Cl)cc12)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KMT2A Q03164 3/20 0.39
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL8208574 0.90 AKR1C3 (0.42) SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL8201598 0.89 AKR1C3 (0.46) KMT2A
SCHEMBL6968879 0.88 DYRK1A (0.42) SLC6A2SLC6A4SLC6A3KMT2AHTR6
SCHEMBL8208589 0.88 KMT2A (0.44) SLC6A2SLC6A4SLC6A3KMT2APTGS2
SCHEMBL8213329 0.83 PTGS1 (0.38) SLC6A2SLC6A4SLC6A3PTGS2HTR6
SCHEMBL8200926 0.80 KMT2A (0.47) KMT2APTGS2POLBMEN1HTR6
SCHEMBL8208559 0.78 KMT2A (0.51) KMT2APOLBCYP2D6CYP2C19MEN1
SCHEMBL8209521 0.78 HTR6 (0.51) HTR6
SCHEMBL8209083 0.75 PDE4B (0.38) SLC6A2SLC6A4SLC6A3KMT2APTGS2
SCHEMBL8209788 0.75 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3KMT2APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US claimed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO claimed
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO disclosed