SCHEMBL8700975

SCHEMBL8700975

CC1CCCN(C(=O)CCc2ccccc2)C1C(C)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCRTR2 O43614 1/20 0.42
CYP24A1 Q07973 1/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PRCP P42785 1/20 0.40
F2 P00734 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIN2B Q13224 1/20 0.39
PKM P14618 1/20 0.39
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
SCHEMBL8696293 0.85 NPC1 (0.47) HPGDSMN1; SMN2HCRTR2CYP24A1NPC1
Hydrochloric Acid SCHEMBL8695560 0.84 NPC1 (0.47) HPGDSMN1; SMN2HCRTR2CYP24A1NPC1
SCHEMBL8701241 0.79 MEN1 (0.56) CYP24A1NPC1MEN1RAB9AKMT2A
SCHEMBL8695800 0.79 SIGMAR1 (0.41) CYP24A1
SCHEMBL8700978 0.77 HPGD (0.45) HPGDSMN1; SMN2HCRTR2NPC1MEN1
SCHEMBL8696687 0.74 NPC1 (0.45) HPGDSMN1; SMN2NPC1MEN1RAB9A
SCHEMBL8699551 0.74 HPGD (0.42) HPGDSMN1; SMN2CYP24A1ALDH1A1
SCHEMBL8696408 0.72 HPGD (0.63) HPGDSMN1; SMN2NPC1MEN1RAB9A
SCHEMBL8701270 0.72 HPGD (0.54) HPGDSMN1; SMN2NPC1MEN1RAB9A
SCHEMBL8699260 0.70 NPC1 (0.47) HPGDSMN1; SMN2HCRTR2NPC1MEN1

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