SCHEMBL11032841

SCHEMBL11032841

CC1=C(c2ccc(-n3ccnc3)cc2)NNC(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.51
▸ PDE3A Q14432 13/20 0.51
▸ PDE4A P27815 2/20 0.51
▸ PDE4B Q07343 2/20 0.51
▸ PDE4C Q08493 2/20 0.51
▸ PDE4D Q08499 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PDE2A O00408 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PDE1A P54750 2/20 0.46
▸ PDE1B Q01064 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
SCHEMBL10631471 0.83 KMT2A (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7436364 0.76 EGLN2 (0.35) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7341034 0.75 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7450630 0.71 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11121491 0.71 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2533488 0.71 TSHR (0.84) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7344047 0.70 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL10756530 0.70 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL19186987 0.70 KMT2A (0.70) PDE3BPDE3ATSHRCYP3A4LMNA
SCHEMBL7340691 0.69 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C

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
US-4551455-A HYPOTENSIVE AGENTS A. NATTERMANN & CIE GMBH (DE) 1985-11-05 — — US disclosed
US-4551455-A HYPOTENSIVE AGENTS A. NATTERMANN & CIE GMBH (DE) 1985-11-05 — — US disclosed
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