SCHEMBL7841577

SCHEMBL7841577

N#Cc1ccc(Cc2ncc(CN(c3ccccc3)C3CCNCC3)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.47
SLC6A2 P23975 10/20 0.45
SLC6A4 P31645 10/20 0.45
SLC6A3 Q01959 8/20 0.45
BRS3 P32247 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MAPKAPK2 P49137 1/20 0.39
CCR5 P51681 2/20 0.37
CACNA1B Q00975 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
PGGT1B P53609 1/20 0.35

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
Hydrochloric Acid SCHEMBL7845559 0.90 NOS2 (0.43) NOS2SLC6A2SLC6A4SLC6A3BRS3
Hydrochloric Acid SCHEMBL7936809 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BRS3MAPKAPK2
SCHEMBL6986524 0.80 BRS3 (0.42) SLC6A2SLC6A4BRS3TAAR1MAPKAPK2
SCHEMBL7936788 0.78 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BRS3MAPKAPK2
Hydrochloric Acid SCHEMBL7936709 0.78 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BRS3MAPKAPK2
SCHEMBL4682986 0.76 SLC6A2 (0.62) NOS2SLC6A2SLC6A4SLC6A3CCR5
SCHEMBL7939447 0.74 BRS3 (0.54) SLC6A2SLC6A4SLC6A3BRS3MAPKAPK2
SCHEMBL7927439 0.74 PSEN1 (0.45) BRS3KDM1A
SCHEMBL7937519 0.74 PSEN1 (0.38) BRS3CCR5FNTAFNTBPGGT1B
SCHEMBL6714998 0.73 MAPKAPK2 (0.46) MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed