SCHEMBL7347474

SCHEMBL7347474

Cc1cn(-c2ccc3c(c2)CCC(=O)N3)c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 12/20 0.51
PDE3B Q13370 4/20 0.51
PDE3A Q14432 4/20 0.51
TBXAS1 P24557 3/20 0.51
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
MMP12 P39900 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL9700738 0.80 HSD11B1 (0.34) CRBNPDE3BPDE3ATBXAS1MAPT
SCHEMBL9700875 0.80 CYP11B1 (0.43) CRBNPDE3BPDE3ATBXAS1ALDH1A1
SCHEMBL7321973 0.77 CYP11B1 (0.42) CRBNPDE3BPDE3ATBXAS1CYP1A2
SCHEMBL9701071 0.74 HSD11B1 (0.34) MAPTALDH1A1NR3C1
SCHEMBL5618732 0.71 ALDH1A1 (0.46) CRBNPDE3BPDE3ATBXAS1MAPT
SCHEMBL10681028 0.71 PDE3B (0.61) PDE3BPDE3AMEN1KMT2A
SCHEMBL20929265 0.70 PARP1 (0.43)
SCHEMBL433753 0.70 PKM (0.58) CRBNPDE3BPDE3ATBXAS1MAPT
SCHEMBL29199433 0.70 PKM (0.58) CRBNPDE3BPDE3ATBXAS1MAPT
SCHEMBL31521527 0.69 CRBN (0.58) CRBNPDE3BPDE3ATBXAS1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900839-A SUBSTITUTED PHENYLPROPENAMIDES PFIZER INC. (US) 1990-02-13 US disclosed
US-4837334-A Precursors to quinolone inotropic agents PFIZER INC. (US) 1989-06-06 US disclosed
US-4728653-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1988-03-01 US disclosed
EP-0166533-A1 Quinolone inotropic agents Pfizer Limited (GB) 1986-01-02 EP disclosed