SCHEMBL14370221

SCHEMBL14370221

CN1CCN(c2cccc3c2O[C@@H](C(=O)Nc2ccc(N4CCOCC4)cc2)CC3=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 3/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ RAD52 P43351 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 6/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14264000 1.00 HTR1B (0.57) HTR1BKCNH2RAD52L3MBTL1MAPT
SCHEMBL14370170 0.84 HTR1B (0.73) HTR1BKCNH2RAD52L3MBTL1MAPT
SCHEMBL5354642 0.84 HTR1B (0.73) HTR1BKCNH2RAD52L3MBTL1MAPT
SCHEMBL14263999 0.84 HTR1B (0.73) HTR1BKCNH2RAD52L3MBTL1MAPT
SCHEMBL14370172 0.83 HTR1B (0.62) HTR1BKCNH2RAD52MAPTTSHR
SCHEMBL5311146 0.81 HTR1B (0.56) HTR1BKCNH2RAD52L3MBTL1MAPT
SCHEMBL4988581 0.78 LMNA (0.45) L3MBTL1MAPTALDH1A1TSHRMEN1
Hydrochloric Acid SCHEMBL6608472 0.77 LMNA (0.44) L3MBTL1MAPTALDH1A1TSHRMEN1
SCHEMBL4806699 0.75 ALDH1A1 (0.54) HTR1BKCNH2RAD52L3MBTL1MAPT
SCHEMBL5308358 0.75 HTR1B (0.79) HTR1BKCNH2RAD52MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 — — US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 — — US disclosed
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