SCHEMBL8383265

SCHEMBL8383265

[CH2]CCCN1C[C@H]2COc3cccc(OC)c3[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
MTOR P42345 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
THPO P40225 1/20 0.48
FTO Q9C0B1 1/20 0.48
MEN1 O00255 1/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL8383173 1.00 NPC1 (0.48) NPC1MTORRAB9ATP53CYP1A2
SCHEMBL8382233 1.00 NPC1 (0.48) NPC1MTORRAB9ATP53CYP1A2
SCHEMBL8385726 1.00 NPC1 (0.48) NPC1MTORRAB9ATP53CYP1A2
SCHEMBL8385737 0.97 CYP1A2 (0.49) NPC1MTORRAB9ATP53CYP1A2
SCHEMBL8381968 0.97 CYP1A2 (0.49) NPC1MTORRAB9ATP53CYP1A2
SCHEMBL8383518 0.94 DRD2 (0.47) NPC1MTORRAB9ATP53CYP1A2
SCHEMBL8386702 0.90 HTR1A (0.45) NPC1MTORRAB9ATP53CYP1A2
SCHEMBL8384036 0.90 HTR1A (0.45) NPC1MTORRAB9ATP53CYP1A2
SCHEMBL8382906 0.89 DRD2 (0.46) NPC1MTORRAB9ATP53CYP1A2
SCHEMBL7837410 0.89 NPC1 (0.49) NPC1MTORRAB9ATP53CYP1A2

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-5891882-A TREATING BENIGN PROSTATIC HYPERPLASIA OR OTHER UROLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION AND NEUROGENIC BLADDER, OR GYNECOLOGICAL SYNDROMES SUCH AS DYSMENORRHEA ABBOTT LABORATORIES (US) 1999-04-06 US disclosed