SCHEMBL11547780

SCHEMBL11547780

CCCOC(=O)C(=CN)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 5/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL11549097 0.86 HPGD (0.39) L3MBTL1HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL11552403 0.85 ALDH1A1 (0.40) L3MBTL1MEN1KMT2ATDP1HPGD
SCHEMBL21925353 0.74 L3MBTL1 (0.39) L3MBTL1MEN1KMT2ATDP1HPGD
SCHEMBL11546593 0.72 OPRK1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL27777215 0.72 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ATDP1HPGD
SCHEMBL11480332 0.72 SMN1; SMN2 (0.53) L3MBTL1MEN1KMT2ATDP1HPGD
SCHEMBL11547056 0.72 TSHR (0.57) L3MBTL1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL7962153 0.72 MAPT (0.41) L3MBTL1MEN1KMT2ATDP1HPGD
SCHEMBL1949240 0.71 SMN1; SMN2 (0.51) L3MBTL1MEN1KMT2ATDP1HPGD
SCHEMBL7975645 0.70 ALDH1A1 (0.40) L3MBTL1MEN1KMT2ATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4136187-A CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4004014-A VASODILATION, HYPOTENSIVE, ANTIARRHYTHMIA, SPASMOLYTIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US disclosed
US-3959292-A HYPOTENSIVE AGENTS, CORONARY DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed