SCHEMBL8624899

SCHEMBL8624899

NCCCCCCC(N)CCCNCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
CHRM2 P08172 1/20 0.56
SIGMAR1 Q99720 4/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
MC4R P32245 1/20 0.45
MC5R P33032 1/20 0.45
MC3R P41968 1/20 0.45
TLR2 O60603 1/20 0.44
MMP2 P08253 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL8625123 1.00 MAOA (0.58) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL9182514 0.90 MAOA (0.56) MAOACHRM2SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL9195735 0.89 MAOA (0.55) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL16247208 0.87 MEN1 (0.52) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL16429109 0.86 CHRM2 (0.54) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL21799782 0.85 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL21800068 0.85 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL21799882 0.85 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL21799465 0.85 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL7804948 0.85 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A

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-5753714-A ANTIPROTOZOA AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-05-19 US claimed
EP-0490250-A2 Use of interferon and an antimalarial agent for the treatment of malarial infections BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1992-06-17 EP disclosed