SCHEMBL8545595

SCHEMBL8545595

O=C(CCc1ccccc1)N1CCCCC1CCn1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.44
TBXAS1 P24557 4/20 0.43
HPGD P15428 1/20 0.41

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 SCHEMBL8540290 0.99 PKM (0.59) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL8701243 0.94 NPC1 (0.62) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL8701279 0.94 NPC1 (0.53) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL9031024 0.93 PKM (0.53) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL8703358 0.90 PKM (0.58) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL8699553 0.89 PKM (0.52) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL8703355 0.87 PKM (0.55) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL8699493 0.87 PKM (0.55) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL8700978 0.83 HPGD (0.45) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL8699576 0.82 NPC1 (0.53) PKMNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed
EP-0705258-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed