SCHEMBL8557477

SCHEMBL8557477

c1ccc2c(c1)CCCC21CCN(CCCCN2CCC3(CCCc4ccccc43)CC2)CC1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.84
EBP Q15125 1/20 0.84
TP53 P04637 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
DRD2 P14416 1/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
HTR2B P41595 1/20 0.69
MTOR P42345 1/20 0.69
MEN1 O00255 1/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68
KMT2A Q03164 1/20 0.68

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
SCHEMBL9375143 0.92 SIGMAR1 (1.00) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL9374660 0.91 SIGMAR1 (1.00) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL7435097 0.91 SIGMAR1 (0.83) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL8013750 0.90 SIGMAR1 (0.83) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL7373780 0.87 SIGMAR1 (1.00) SIGMAR1EBPTP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7383946 0.86 SIGMAR1 (1.00) SIGMAR1EBPMEN1BLMPMP22
SCHEMBL9374544 0.85 SIGMAR1 (1.00) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL2758088 0.84 SIGMAR1 (0.70) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL2758036 0.84 SIGMAR1 (0.70) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL240450 0.83 SIGMAR1 (0.68) SIGMAR1EBPTP53CYP1A2CYP3A4

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
EP-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP claimed