SCHEMBL7312349

SCHEMBL7312349

O=C1CCC(c2ccc(CO)cc2)=NN1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
PDE3B Q13370 13/20 0.58
PDE3A Q14432 12/20 0.58
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
KCNH2 Q12809 1/20 0.54
KMT2A Q03164 1/20 0.51
PDE4A P27815 5/20 0.50
PDE4B Q07343 5/20 0.50
PDE4C Q08493 5/20 0.50
PDE4D Q08499 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL7358963 0.87 SMN1; SMN2 (0.58) SMN1; SMN2PDE3BPDE3AMAPTLMNA
SCHEMBL10353452 0.86 SMN1; SMN2 (0.81) SMN1; SMN2PDE3BPDE3AMAPTLMNA
SCHEMBL7298599 0.83 SMN1; SMN2 (0.61) SMN1; SMN2PDE3BPDE3AMAPTLMNA
SCHEMBL7304108 0.82 SMN1; SMN2 (0.60) SMN1; SMN2PDE3BPDE3AMAPTLMNA
SCHEMBL9631025 0.81 SMN1; SMN2 (0.55) SMN1; SMN2PDE3BPDE3AMAPTLMNA
SCHEMBL9686065 0.81 SMN1; SMN2 (0.55) SMN1; SMN2PDE3BPDE3AMAPTLMNA
SCHEMBL8339349 0.81 SMN1; SMN2 (0.55) SMN1; SMN2PDE3BPDE3AMAPTLMNA
SCHEMBL10745652 0.81 PDE3B (0.65) SMN1; SMN2PDE3BPDE3AMAPTLMNA
SCHEMBL2846257 0.81 SMN1; SMN2 (0.68) SMN1; SMN2PDE3BPDE3AMAPTLMNA
SCHEMBL21969533 0.81 MAPT (0.63) SMN1; SMN2PDE3BPDE3AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001000590-A1 SUBSTITUTED 6-[4-(OXYMETHYL)-PHENYL]-DIHYDROPYRIDAZINONES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
EP-0308785-B1 DIHYDROPYRIDINE ETHERS, PROCESSES FOR THEIR PREPARATION AND THEIR UTILISATION BAYER AG (DE) 1992-05-13 EP disclosed
US-4886804-A HYPERTENSIVE, CARDIOTONIC, HYPERGLYCEMIC, ANTIARRHYTHMIA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
US-4876255-A CARDIOVASCULAR BAYER AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed
US-4876254-A CARDIOVASCULAR DISORDERS, HYPERTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed
EP-0308785-A2 Dihydropyridine ethers, processes for their preparation and their utilisation BAYER AG (DE) 1989-03-29 EP disclosed
EP-0287867-A1 Substituted 5-nitro-1,4-dihydropyridines, method for their preparation and their use BAYER AG (DE) 1988-10-26 EP disclosed
EP-0287866-A1 Substituted 1,4-dihydropyridines, method for their preparation and their use BAYER AG (DE) 1988-10-26 EP disclosed