SCHEMBL8698349

SCHEMBL8698349

O=C(CCc1ccccc1)N1CCCCC1CCn1ccnc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ESR1 P03372 1/20 0.49
PRCP P42785 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.41
NAAA Q02083 1/20 0.41
PKM P14618 1/20 0.41
GRIN2B Q13224 1/20 0.41
DAGLA Q9Y4D2 4/20 0.41
ABHD6 Q9BV23 3/20 0.41
PDE6D O43924 1/20 0.41
TP53 P04637 1/20 0.40
DAGLB Q8NCG7 1/20 0.40

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
SCHEMBL8696612 0.89 BLM (0.61) BLMNPC1RAB9AMEN1KMT2A
SCHEMBL8701038 0.85 NPC1 (0.54) BLMNPC1RAB9AMEN1KMT2A
SCHEMBL8697813 0.85 NPC1 (0.51) BLMNPC1RAB9AMEN1KMT2A
SCHEMBL8699491 0.83 NPC1 (0.62) BLMNPC1RAB9AMEN1KMT2A
SCHEMBL8702971 0.82 PTGS2 (0.50) BLMNPC1RAB9AMEN1KMT2A
SCHEMBL8698720 0.81 BLM (0.61) BLMNPC1RAB9AMEN1KMT2A
SCHEMBL8701544 0.81 NPC1 (0.53) BLMNPC1RAB9AMEN1KMT2A
SCHEMBL8541896 0.81 FAAH (0.56) NPC1MEN1KMT2AESR1TDP1
SCHEMBL8699125 0.80 ESR1 (0.42) MEN1KMT2AESR1NPSR1
SCHEMBL8696494 0.79 NPC1 (0.53) BLMNPC1RAB9AMEN1KMT2A

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