SCHEMBL8698346

SCHEMBL8698346

CC(C1CCCCN1C(=O)CCc1ccccc1)n1ccnc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PRCP P42785 6/20 0.43
TDP1 Q9NUW8 1/20 0.41
NAAA Q02083 1/20 0.41
GRIN2B Q13224 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.38
HCRTR2 O43614 1/20 0.38
DUT P33316 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8696608 0.90 NPC1 (0.46) NPC1MEN1RAB9AKMT2APRCP
SCHEMBL8697809 0.87 NPC1 (0.45) NPC1MEN1RAB9AKMT2APRCP
SCHEMBL8701033 0.86 NPC1 (0.47) NPC1MEN1RAB9AKMT2APRCP
SCHEMBL8699938 0.85 NPC1 (0.54) NPC1MEN1RAB9AKMT2AHPGD
SCHEMBL8701540 0.82 NPC1 (0.46) NPC1MEN1RAB9AKMT2APRCP
SCHEMBL8702967 0.82 NPC1 (0.44) NPC1MEN1RAB9AKMT2APRCP
SCHEMBL8699260 0.81 NPC1 (0.47) NPC1MEN1RAB9AKMT2APRCP
SCHEMBL8696491 0.80 NPC1 (0.46) NPC1MEN1RAB9AKMT2APRCP
SCHEMBL8699571 0.80 NPC1 (0.46) NPC1MEN1RAB9AKMT2APRCP
SCHEMBL8696293 0.80 NPC1 (0.47) NPC1MEN1RAB9AKMT2APRCP

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-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed