SCHEMBL9878042

SCHEMBL9878042

COCc1nc(Cl)c2c(n1)CCCS2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL9385093 0.83 PDE4B (0.31) PDE4BPDE4D
SCHEMBL9878630 0.82 PDE4B (0.32) PDE4BPDE4D
SCHEMBL9877552 0.76 NSD2 (0.31) —
SCHEMBL9384614 0.74 TNKS (0.31) PDE4BPDE4D
SCHEMBL7389179 0.73 TNKS (0.33) PDE4BPDE4D
SCHEMBL10570359 0.72 HTR2C (0.42) PDE4BPDE4D
Hydrochloric Acid SCHEMBL9877555 0.72 KDM4E (0.38) —
SCHEMBL11035315 0.70 KDM4E (0.35) PDE4BPDE4D
SCHEMBL9878759 0.70 PDE10A (0.43) —
SCHEMBL9386510 0.70 — —

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
US-4994464-A Treatment of elevated intraocular pressure and glaucoma MERCK & CO., INC. (US) 1991-02-19 — — US disclosed
US-4889856-A INTRAOCULAR PRESSURE REDUCTION; CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1989-12-26 — — US disclosed
EP-0276057-A2 Piperazinylpyrimidines as beta-adrenergic receptor blocking agents MERCK & CO. INC. (US) 1988-07-27 — — EP disclosed
Send feedback