SCHEMBL8701241

SCHEMBL8701241

CC(C1CCCCN1C(=O)CCCc1ccccc1)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP24A1 Q07973 1/20 0.42
TBXA2R P21731 2/20 0.42
PREP P48147 2/20 0.41
FAAH O00519 1/20 0.41
DUT P33316 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
SCHEMBL8696293 0.94 NPC1 (0.47) MEN1NPC1RAB9AKMT2ACYP24A1
Hydrochloric Acid SCHEMBL8695560 0.93 NPC1 (0.47) MEN1NPC1RAB9AKMT2ACYP24A1
SCHEMBL8699551 0.88 HPGD (0.42) CYP24A1TBXA2R
SCHEMBL8699938 0.82 NPC1 (0.54) MEN1NPC1RAB9AKMT2APREP
SCHEMBL8699084 0.82 USP7 (0.45) NPC1RAB9AKMT2A
SCHEMBL8698574 0.80 CYP17A1 (0.41)
SCHEMBL8698467 0.79 SIGMAR1 (0.41)
Hydrochloric Acid SCHEMBL8698582 0.79 CYP17A1 (0.41)
SCHEMBL8700975 0.79 HPGD (0.45) MEN1NPC1RAB9AKMT2ACYP24A1
SCHEMBL8696687 0.79 NPC1 (0.45) MEN1NPC1RAB9AKMT2A

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