SCHEMBL8378780

SCHEMBL8378780

CCCCCCCCNCC(O)CCCCCCCCCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.56
RXFP1 Q9HBX9 3/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 2/20 0.53
ADORA2A P29274 1/20 0.51
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL9294398 0.87 ADORA2B (0.63) ADORA2BRXFP1MAPK1LMNASMN1; SMN2
SCHEMBL9293623 0.87 ADORA2B (0.63) ADORA2BRXFP1MAPK1LMNASMN1; SMN2
SCHEMBL9295115 0.86 ADORA2B (0.64) ADORA2BRXFP1MAPK1LMNASMN1; SMN2
SCHEMBL8376094 0.84 ADORA2B (0.54) ADORA2BRXFP1LMNASMN1; SMN2ADORA2A
SCHEMBL8005651 0.84 ADORA2B (0.54) ADORA2BRXFP1LMNASMN1; SMN2ADORA2A
SCHEMBL8375264 0.84 ADORA2B (0.54) ADORA2BRXFP1LMNASMN1; SMN2ADORA2A
SCHEMBL8697911 0.84 ADORA2B (0.54) ADORA2BRXFP1LMNASMN1; SMN2ADORA2A
SCHEMBL8378526 0.84 ADORA2B (0.54) ADORA2BRXFP1LMNASMN1; SMN2ADORA2A
SCHEMBL8378556 0.84 ADORA2B (0.54) ADORA2BRXFP1LMNASMN1; SMN2ADORA2A
SCHEMBL8006575 0.84 ADORA2B (0.54) ADORA2BRXFP1LMNASMN1; SMN2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670507-A Method for reversing multiple drug resistant phenotype CELL THERAPEUTICS, INC. (US) 1997-09-23 US claimed
US-5859018-A ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS; CARDIOVASCULAR DISORDERS CELL THERAPEUTICS, INC. (US) 1999-01-12 US disclosed
US-5856331-A LYSOPHOSPHATIDIC ACYLTRANSFERASE INHIBITOR CELL THERAPEUTICS, INC. (US) 1999-01-05 US disclosed
US-5837703-A AUTOIMMUNE DISEASES, ARTHRITIS, CANCER, LEUKEMIA, MULTIPLE SCLEROSIS; ANTITUMOR AGENTS CELL THERAPEUTICS, INC. (US) 1998-11-17 US disclosed
US-5824677-A SUBSTITUTED WITH HETEROCYCLIC RING, ANTIINFLAMMATORY, IMMUNOSUPPRESSIVE CELL THERAPEUTICS, INC. (US) 1998-10-20 US disclosed
US-5801181-A Amino alcohol substituted cyclic compounds CELL THERAPEUTICS, INC. (US) 1998-09-01 US disclosed
US-5795898-A ANTITUMOR, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS CELL THERAPEUTICS, INC. (US) 1998-08-18 US disclosed
US-5777117-A ANTIINFLAMMATORY, IMMUNOSUPPRESSIVE, CYTOTOXIC AGENTS; MICROBIOCIDES, FUNGICIDES CELL THERAPEUTICS, INC. (US) 1998-07-07 US disclosed
US-5750575-A ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANTS; CYTOTOXIC AGENTS; MICROBIOCIDES; FUNGICIDES CELL THERAPEUTICS, INC. (US) 1998-05-12 US disclosed
US-5670507-A Method for reversing multiple drug resistant phenotype CELL THERAPEUTICS, INC. (US) 1997-09-23 US disclosed
US-5641783-A ANTIINFLAMMATORY OR IMMUNOSUPPRESSIVE AGENTS CELL THERAPEUTICS, INC. (US) 1997-06-24 US disclosed
EP-0719267-A1 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 1996-07-03 EP disclosed
EP-0719267-A4 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS INC (US) 1996-02-16 EP disclosed
WO-1995013808-A1 METHOD FOR SELECTIVELY INHIBITING IL-2 SIGNAL TRANSDUCTION CELL THERAPEUTICS, INC. (US) 1995-05-26 WO disclosed
WO-1994022863-A1 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 1994-10-13 WO disclosed