SCHEMBL8334703

SCHEMBL8334703

CC(C)CCCc1nc2c([nH]1)C(=O)N(C)C1=N[C@H](C(C)C)CN12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 1.00
▸ PDE3A Q14432 13/20 1.00
▸ PDE5A O76074 8/20 0.54
▸ PDE4A P27815 2/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ PDE4C Q08493 2/20 0.46
▸ PDE4D Q08499 2/20 0.46

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
SCHEMBL714340 0.80 PDE3B (0.69) PDE3BPDE3APDE5APDE4APDE4B
SCHEMBL714341 0.80 PDE3B (0.69) PDE3BPDE3APDE5APDE4APDE4B
SCHEMBL10201625 0.80 PDE5A (0.78) PDE3BPDE3APDE5APDE4APDE4B
SCHEMBL16503588 0.64 PDE5A (0.52) PDE3BPDE3APDE5APDE4APDE4B
SCHEMBL149367 0.63 PDE5A (1.00) PDE3BPDE3APDE5APDE4APDE4B
SCHEMBL194125 0.62 PDE5A (0.59) PDE3BPDE3APDE5APDE4APDE4B
SCHEMBL230741 0.58 PDE5A (0.61) PDE3BPDE3APDE5APDE4APDE4B
Hydrochloric Acid SCHEMBL7441962 0.57 PDE5A (0.60) PDE3BPDE3APDE5APDE4APDE4B
SCHEMBL233561 0.57 PDE5A (0.56) PDE3BPDE3APDE5APDE4APDE4B
Hydrochloric Acid SCHEMBL7430875 0.57 PDE5A (0.60) PDE3BPDE3APDE5APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004037262-A2 IMMEDIATE RELEASE TOPICAL PHARMACEUTICAL FORMULATION FOR ENHANCEMENT OF FEMALE SEXUAL DESIRE AND RESPONSIVENESS VIVUS, INC. (US) 2004-05-06 — — WO disclosed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 — — WO disclosed
Send feedback