SCHEMBL7312016

SCHEMBL7312016

C=CCN1C(=O)CCc2c(OCCCc3nnnn3CC3CCCCC3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
MEN1 O00255 1/20 0.32
ABCC4 O15439 1/20 0.32
CACNA1F O60840 1/20 0.32
ABCB11 O95342 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
THPO P40225 1/20 0.32
OPRK1 P41145 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CACNA1D Q01668 1/20 0.32

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
SCHEMBL7312812 0.84 HTR6 (0.40) MEN1ALDH1A1TSHRKMT2AGAA
SCHEMBL7317306 0.81 HSD11B1 (0.39) MEN1ALDH1A1LMNATSHRMAPK1
SCHEMBL7307700 0.75 PDE3B (0.45) PDE3BPDE3AMEN1ABCC4CACNA1F
SCHEMBL7307694 0.75 PDE3B (0.45) PDE3BPDE3AMEN1ABCC4CACNA1F
SCHEMBL7316476 0.72 PDE3B (0.47) HRH3PDE3BPDE3AMEN1ABCC4
SCHEMBL7316056 0.72 PDE3B (0.41) HRH3PDE3BPDE3AMEN1ABCC4
SCHEMBL17471514 0.69 PDE3B (0.49) HRH3PDE3BPDE3AMEN1ABCC4
SCHEMBL7316133 0.69 PDE3B (0.42) PDE3BPDE3AMEN1ABCC4CACNA1F
SCHEMBL11070246 0.68 DRD4 (0.55) HRH3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11362472 0.68 HTR6 (0.41) LMNACYP1A2CYP3A4TSHRKMT2A

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