SCHEMBL7318804

SCHEMBL7318804

C=c1c(=O)[nH]c2n1Cc1c(OCCCC(=O)N(CCCCCC)CCCCCC)ccc(Cl)c1N=2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 7/20 0.34
THRA P10827 3/20 0.34
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7313112 0.80 PDE3B (0.40) PDE3BPDE3AHPGDSMN1; SMN2NPC1
SCHEMBL7316554 0.79 PDE3B (0.46) PDE3BPDE3A
SCHEMBL7312198 0.77 PDE3B (0.44) PDE3BPDE3AHPGDSMN1; SMN2NPC1
SCHEMBL7308929 0.76 PDE3B (0.44) PDE3BPDE3AHPGDSMN1; SMN2TSHR
SCHEMBL7311914 0.75 PDE3B (0.51) PDE3BPDE3AHPGDSMN1; SMN2NPC1
SCHEMBL7305263 0.74 PDE3B (0.47) PDE3BPDE3A
SCHEMBL7311818 0.71 PDE3B (0.45) PDE3BPDE3AHPGDKDM4EALDH1A1
SCHEMBL7320488 0.71 PDE3B (0.45) PDE3BPDE3AALDH1A1
SCHEMBL7307703 0.71 PDE3B (0.45) PDE3BPDE3ANPC1RAB9ATHRB
SCHEMBL7311494 0.70 PDE3B (0.52) PDE3BPDE3A

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed