SCHEMBL7330002

SCHEMBL7330002

CCCc1nc2c(NCC)ncn(Cc3ccccc3)c-2n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
TNF P01375 1/20 0.40
CDK1 P06493 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
CTSL P07711 5/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TMIGD3 P0DMS9 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Hydrochloric Acid SCHEMBL8396661 0.99 NR1I2 (0.41) NR1I2CYP11B1CYP11B2TNFCDK1
SCHEMBL1388063 0.83 CTSL (0.42) CYP11B1CYP11B2TNFCDK1YTHDC1
Hydrochloric Acid SCHEMBL7030023 0.82 CTSL (0.41) CYP11B1CYP11B2TNFCDK1YTHDC1
SCHEMBL1387903 0.81 ALDH1A1 (0.43) CYP11B1CYP11B2TNFCDK1YTHDC1
SCHEMBL1817928 0.73 PDE4B (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7740436 0.73 ENPP1 (0.37) PDE4APDE4BPDE4CPDE4DHTT
Hydrochloric Acid SCHEMBL4282932 0.73 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL1388094 0.72 YTHDC1 (0.40) YTHDC1CTSLLMNA
SCHEMBL1387909 0.72 KCNH2 (0.39) CYP11B1CYP11B2CTSLLMNAHTT
SCHEMBL7372968 0.71 ALDH1A1 (0.38) CYP11B2CTSLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912575-A4 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2001-04-25 EP claimed
EP-0912575-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY Euro-Celtique S.A. (LU) 1999-05-06 EP claimed
WO-1997046561-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO-CELTIQUE, S.A. (LU) 1997-12-11 WO claimed
EP-0912575-A4 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2001-04-25 EP disclosed
EP-0912575-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY Euro-Celtique S.A. (LU) 1999-05-06 EP disclosed
WO-1997046561-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO-CELTIQUE, S.A. (LU) 1997-12-11 WO disclosed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 WO disclosed