SCHEMBL27550786

SCHEMBL27550786

O=CC1CCN(CCNCc2ccccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ CHRM2 P08172 1/20 0.48
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ SCN8A Q9UQD0 1/20 0.40
▸ DRD4 P21917 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5024894 0.82 ALDH1A1 (0.76) L3MBTL1ALDH1A1ALOX15TSHRCHRM2
SCHEMBL5028870 0.81 ALDH1A1 (0.74) L3MBTL1ALDH1A1ALOX15TSHRCHRM2
SCHEMBL5024742 0.79 L3MBTL1 (1.00) L3MBTL1ALDH1A1ALOX15TSHRCHRM2
SCHEMBL5013030 0.79 ALDH1A1 (0.71) L3MBTL1ALDH1A1ALOX15TSHRCHRM2
SCHEMBL27570315 0.77 CYP3A4 (0.62) L3MBTL1ALDH1A1CYP2D6CYP2C19DPP7
SCHEMBL31232857 0.76 ALDH1A1 (0.67) L3MBTL1ALDH1A1ALOX15TSHRCHRM2
SCHEMBL31232707 0.76 ALDH1A1 (0.67) L3MBTL1ALDH1A1ALOX15TSHRCHRM2
SCHEMBL6398876 0.76 L3MBTL1 (0.54) L3MBTL1ALDH1A1ALOX15TSHRRECQL
SCHEMBL27570311 0.75 KDM4E (0.40) ALDH1A1KDM4EPOLBDPP7SIGMAR1
SCHEMBL15995479 0.74 ALDH1A1 (0.64) L3MBTL1ALDH1A1ALOX15TSHRCHRM2

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
CN-1344266-A Novel compounds ASTRAZENECA AB (SE) 2002-04-10 — — CN claimed
CN-1344266-A Novel compounds ASTRAZENECA AB (SE) 2002-04-10 — — CN disclosed
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