SCHEMBL9516148

SCHEMBL9516148

Cc1nc2ccc(C3=NNC(=O)CC3C)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.67
PDE3A Q14432 9/20 0.67
ABCB11 O95342 1/20 0.67
MAOA P21397 1/20 0.67
ADORA2A P29274 1/20 0.67
F10 P00742 1/20 0.64
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
GPR119 Q8TDV5 8/20 0.55
GALR3 O60755 2/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
SLFN12 Q8IYM2 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL16157203 1.00 PDE3B (0.67) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9516140 0.90 PDE3B (0.57) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL28644807 0.88 PDE3B (0.67) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL17446958 0.85 PDE3B (0.50) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9182320 0.84 PDE3B (0.64) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9180434 0.82 PDE3B (0.61) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL8264681 0.82 PDE3B (0.77) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9781456 0.82 PDE3B (0.77) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10517966 0.82 GPR119 (0.62) PDE3BPDE3AABCB11MAOAADORA2A
Hydrochloric Acid SCHEMBL11290551 0.82 PDE3B (0.76) PDE3BPDE3AABCB11MAOAADORA2A

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
EP-0330052-B1 Use of benzimidazoles for preparing a medicine with an anti-ischemial activity on the heart, and combinations with betablockers or bradycardics THOMAE GMBH DR K (DE) 1993-12-15 EP disclosed
EP-0330052-A2 Use of benzimidazoles for preparing a medicine with an anti-ischemial activity on the heart, and combinations with betablockers or bradycardics Dr. Karl Thomae GmbH (DE) 1989-08-30 EP disclosed