SCHEMBL10761432

SCHEMBL10761432

Cc1[nH]c(=O)c(C#N)c(C)c1-c1cc(-n2ccnc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.50
▸ PDE3A Q14432 5/20 0.50
▸ PDE2A O00408 3/20 0.50
▸ PDE1A P54750 2/20 0.50
▸ PDE1B Q01064 2/20 0.50
▸ PDE1C Q14123 2/20 0.50
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CYP2C19 P33261 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ IGF1R P08069 2/20 0.34

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
Hydrochloric Acid SCHEMBL10760519 0.81 PDE3A (0.67) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10758959 0.80 PDE3A (0.68) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10764650 0.79 PDE3B (0.43) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10364553 0.78 PDE3B (0.44) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10366384 0.77 PDE3B (0.47) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10365557 0.75 PDE3B (0.47) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10758369 0.73 PDE3B (0.49) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10763679 0.72 PDE2A (0.43) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10364633 0.72 PDE3B (0.44) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10365669 0.71 PDE2A (0.43) PDE3BPDE3APDE2APDE1APDE1B

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-4699914-A CONGESTIVE HEART FAILURE A. NATTERMANN & CIE GMBH (DE) 1987-10-13 — — US disclosed
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