SCHEMBL8196740

SCHEMBL8196740

NCCCCn1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PDE4A P27815 6/20 0.35
▸ PDE4B Q07343 6/20 0.35
▸ PDE4C Q08493 6/20 0.35
▸ PDE4D Q08499 6/20 0.35
▸ ADORA2A P29274 5/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ SIK1 P57059 2/20 0.34
▸ SIK2 Q9H0K1 2/20 0.34
▸ SIK3 Q9Y2K2 2/20 0.34
▸ GAK O14976 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ EPHA1 P21709 1/20 0.34
▸ EPHA2 P29317 1/20 0.34
▸ EPHA3 P29320 1/20 0.34
▸ EPHB2 P29323 1/20 0.34
▸ MAPK8 P45983 1/20 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
SCHEMBL8522266 0.88 ADORA2B (0.51) ADORA2BMAPTPDE4APDE4BPDE4C
SCHEMBL6272293 0.86 ADORA2B (0.53) ADORA2BMAPTPDE4APDE4BPDE4C
SCHEMBL8536000 0.86 ADORA2B (0.53) ADORA2BMAPTPDE4APDE4BPDE4C
SCHEMBL4384737 0.86 ADORA2B (0.53) ADORA2BMAPTPDE4APDE4BPDE4C
SCHEMBL6272726 0.86 PDE4A (0.49) ADORA2BMAPTPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL258895 0.85 ADORA2B (0.52) ADORA2BMAPTPDE4APDE4BPDE4C
SCHEMBL3671337 0.83 PNP (0.37) ADORA2BMAPTLMNACYP1A2PDE4A
SCHEMBL667794 0.83 PDE4A (0.49) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL9960806 0.82 PNP (0.38) ADORA2BMAPTLMNACYP1A2PDE4A
Acetic Acid SCHEMBL4280715 0.81 ADORA2B (0.48) ADORA2BMAPTPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912751-B1 PROCESS FOR PREPARATION OF D-PROLINE DERIVATIVES BY MEANS OF MICRO-ORGANISMS LONZA AG (CH) 2000-10-04 — — EP disclosed
EP-0912751-A1 PROCESS FOR PREPARATION OF D-PROLINE DERIVATIVES BY MEANS OF MICRO-ORGANISMS LONZA AG (CH) 1999-05-06 — — EP disclosed
WO-1998001577-A1 PROCESS FOR PREPARATION OF D-PROLINE DERIVATIVES BY MEANS OF MICRO-ORGANISMS LONZA AG (CH) 1998-01-15 — — WO disclosed
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