SCHEMBL23199839

SCHEMBL23199839

CN1CCCN(C(=O)Oc2ccc3ccc4ccccc4c3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NCEH1 Q6PIU2 2/20 0.52
HTR1A P08908 2/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 2/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
HPGD P15428 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL23199827 0.99 SMN1; SMN2 (0.51) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL29965291 0.84 TSHR (0.51) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL29965137 0.84 TSHR (0.51) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL23850682 0.80 SMN1; SMN2 (0.79) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL30628898 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL12467310 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL30628897 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL29965398 0.79 CYP3A4 (0.46) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL830793 0.79 NCEH1 (0.59) SMN1; SMN2HTTKMT2ANCEH1NPC1
SCHEMBL8694769 0.78 HTR1D (0.62) HTR1AHTR1DHTR1BADORA2AADORA1

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-3801553-A2 PRODRUGS OF FULVESTRANT Kashiv Biosciences, LLC (US) 2021-04-14 EP disclosed