SCHEMBL14301397

SCHEMBL14301397

O=C(C1CCN(I)CC1)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.68
ALDH1A1 P00352 2/20 0.56
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47
NPC1 O15118 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL2674563 0.88 HPGD (0.57) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL19658219 0.84 HPGD (0.95) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL806748 0.84 HPGD (0.95) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL24003551 0.83 CHRNB2 (0.48) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL2674128 0.83 HPGD (0.52) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL21844925 0.83 ALDH1A1 (0.68) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL20083914 0.83 ALDH1A1 (0.75) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL17112415 0.82 ALDH1A1 (0.60) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL24746586 0.82 HTT (0.62) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL24003647 0.82 SMN1; SMN2 (0.46) HPGDALDH1A1TSHRSMN1; SMN2HTT

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
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed