SCHEMBL6650784

SCHEMBL6650784

CC1CC(=O)NN=C1c1ccc2nc[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.59
▸ PDE3A Q14432 13/20 0.59
▸ ABCB11 O95342 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ ADORA2A P29274 1/20 0.56
▸ PDE4A P27815 2/20 0.56
▸ PDE4B Q07343 2/20 0.56
▸ PDE4C Q08493 2/20 0.56
▸ PDE4D Q08499 2/20 0.56
▸ GALR3 O60755 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ F10 P00742 1/20 0.53
▸ GPR119 Q8TDV5 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ SLFN12 Q8IYM2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
SCHEMBL6650777 0.90 PDE3B (0.59) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10353457 0.79 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157203 0.79 PDE3B (0.67) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9516148 0.79 PDE3B (0.67) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9182320 0.76 PDE3B (0.64) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL992766 0.75 GALR3 (0.72) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157195 0.75 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10619956 0.75 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7304897 0.74 PDE3B (0.59) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL16156959 0.74 PDE3B (1.00) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2282328-A — — None — — JP disclosed
CN-1148190-C Immunodulatory drug composition ������������ʽ���� 2004-05-05 — — CN disclosed
EP-1123703-B1 IMMUNOMODULATORY DRUG COMPOSITION TORAY INDUSTRIES (JP) 2004-04-14 — — EP disclosed
US-6710046-B1 A METHOD OF TREATMENT OF RHEUMATISM, HEPATITIS OR PANCREATITIS COMPRISING THE STEP OF ADMINISTERING, TO A PATIENT, A BENZIMIDAZOLE TORAY INDUSTRIES, INC. (JP) 2004-03-23 — — US disclosed
CN-1314815-A Immunodulatory drug composition MATSUMORI AKIRA (JP) 2001-09-26 — — CN disclosed
EP-1123703-A1 IMMUNOMODULATORY DRUG COMPOSITION Matsumori, Akira (JP) 2001-08-16 — — EP disclosed
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
JP-H02282328-A POSITIVELY INOTROPIC MEDICINAL COMPOSITION AND ITS PRODUCTION DR KARL THOMAE GMBH 1990-11-19 — — JP 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
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