SCHEMBL7321973

SCHEMBL7321973

Cc1cn(-c2cc(Br)c3c(c2)CCC(=O)N3)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
CYP19A1 P11511 2/20 0.42
CRBN Q96SW2 5/20 0.36
DDB1 Q16531 1/20 0.36
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
PDE2A O00408 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
BRD4 O60885 7/20 0.32
TBXAS1 P24557 1/20 0.31
F2 P00734 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL7347474 0.77 CRBN (0.51) CYP11B1CYP11B2CRBNPDE3BPDE3A
SCHEMBL9700769 0.68
SCHEMBL9700774 0.68 ALDH1A1 (0.32)
SCHEMBL7264344 0.68 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1PDE3BPDE3A
SCHEMBL10680998 0.65 TUBB4A (0.33)
SCHEMBL7272102 0.65 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1PDE3BPDE3A
SCHEMBL14866031 0.65 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CRBNPDE3B
SCHEMBL10680277 0.64 PDE3B (0.41) PDE3BPDE3APDE2A
SCHEMBL18513259 0.63 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CRBNBRD4
SCHEMBL9699790 0.62 ALDH1A1 (0.30)

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