SCHEMBL10554267

SCHEMBL10554267

O=C1CCC(c2ccc3[nH]c(-c4ccccn4)cc3c2)=NN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
GPR119 Q8TDV5 2/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
PDE3B Q13370 12/20 0.43
PDE3A Q14432 12/20 0.43
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
KCNH2 Q12809 1/20 0.40
PDE2A O00408 1/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39

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
SCHEMBL9668887 0.86 GPR119 (0.40) SMN1; SMN2GPR119LMNAKDM4ENPC1
SCHEMBL9668467 0.85 PDE3B (0.42) SMN1; SMN2GPR119LMNAPDE3BPDE3A
SCHEMBL9669040 0.84 SMN1; SMN2 (0.60) SMN1; SMN2GPR119LMNAKDM4ENPC1
SCHEMBL9670144 0.82 PDE3B (0.45) SMN1; SMN2GPR119LMNAPDE3BPDE3A
SCHEMBL9667675 0.81 KCNH2 (0.52) SMN1; SMN2GPR119LMNAPDE3BPDE3A
SCHEMBL10773509 0.81 NPC1 (0.53) SMN1; SMN2GPR119LMNAKDM4ENPC1
SCHEMBL9669200 0.81 PDE3B (0.42) SMN1; SMN2GPR119LMNAPDE3BPDE3A
SCHEMBL9669065 0.80 CYP19A1 (0.52) SMN1; SMN2GPR119LMNAPDE3BPDE3A
SCHEMBL9667556 0.80 SMN1; SMN2 (0.47) SMN1; SMN2GPR119LMNAKDM4EALDH1A1
SCHEMBL9667859 0.80 SMN1; SMN2 (0.47) SMN1; SMN2GPR119PDE3BPDE3APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4851406-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE BOEHRINGER MANNHEIM GMBH (DE) 1989-07-25 US disclosed