SCHEMBL23865974

SCHEMBL23865974

CC1CCCN(c2ccc(C(C)C)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.49
▸ MCOLN3 Q8TDD5 1/20 0.49
▸ USP2 O75604 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ L3MBTL1 Q9Y468 6/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 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
SCHEMBL10147276 0.93 USP2 (0.54) HRH3MCOLN3USP2SMN1; SMN2L3MBTL1
SCHEMBL24240417 0.87 L3MBTL1 (0.45) HRH3MCOLN3L3MBTL1ALDH1A1KDM4E
SCHEMBL277165 0.82 ALDH1A1 (0.54) HRH3USP2SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL18118174 0.82 HPGD (0.52) HRH3USP2SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL847809 0.80 ALDH1A1 (0.57) USP2SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL18118180 0.80 ALDH1A1 (0.57) USP2SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL20004338 0.79 HRH3 (0.50) HRH3MCOLN3USP2SMN1; SMN2L3MBTL1
SCHEMBL15187981 0.79 HRH3 (0.50) HRH3MCOLN3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20251137 0.78 MAPT (0.51) HRH3SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL10118804 0.77 HRH3 (0.49) HRH3MCOLN3USP2SMN1; SMN2L3MBTL1

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-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 — — EP disclosed
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