SCHEMBL9258583

SCHEMBL9258583

NCCCCNC(=O)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.76
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
MAOB P27338 4/20 0.48
MAOA P21397 3/20 0.48
PRKCI P41743 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 2/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL9705544 0.91 EPHX1 (0.69) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL22803830 0.87 EPHX1 (0.97) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL9260337 0.87 EPHX1 (0.76) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL22803307 0.86 EPHX1 (1.00) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL22803313 0.86 EPHX1 (1.00) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL5146715 0.86 EPHX1 (1.00) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL14288522 0.86 EPHX1 (0.90) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL6697763 0.83 EPHX1 (0.69) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL22803696 0.80 NPC1 (0.67) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL9705403 0.80 MAOB (0.55) EPHX1NPC1RAB9AMAPTMAOB

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-5418237-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-05-23 US disclosed