SCHEMBL8701540

SCHEMBL8701540

Cc1ncn(C(C)C2CCCCN2C(=O)CCc2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PRCP P42785 2/20 0.41
GRIN2B Q13224 1/20 0.39
POLB P06746 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
F2 P00734 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL8696491 0.84 NPC1 (0.46) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8696608 0.84 NPC1 (0.46) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8702967 0.83 NPC1 (0.44) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8698346 0.82 NPC1 (0.44) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8699571 0.82 NPC1 (0.46) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8697809 0.81 NPC1 (0.45) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8701033 0.80 NPC1 (0.47) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8696293 0.80 NPC1 (0.47) NPC1RAB9AMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL8695560 0.79 NPC1 (0.47) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8699260 0.79 NPC1 (0.47) NPC1RAB9AMEN1KMT2ATDP1

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