SCHEMBL7307700

SCHEMBL7307700

CC=CCN1C(=O)CCc2c(OCCCCc3nnnn3C3CCCCC3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.45
PDE3A Q14432 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ABCC4 O15439 1/20 0.45
CACNA1F O60840 1/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2C9 P11712 1/20 0.45
THPO P40225 1/20 0.45
OPRK1 P41145 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL7307694 1.00 PDE3B (0.45) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL17471514 0.86 PDE3B (0.49) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL11925000 0.83 PDE3B (0.47) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL7312016 0.75 HRH3 (0.40) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL17471469 0.74 ALDH1A1 (0.46) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL7318018 0.73 PDE3B (0.62) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL11223101 0.72 HTR1A (0.40) ALDH1A1HTR1A
SCHEMBL10281711 0.72 ALDH1A1 (0.44) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL7310717 0.72 PDE3B (0.61) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL31718459 0.72 PDE3B (0.63) PDE3BPDE3AALDH1A1MEN1KMT2A

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
US-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed