SCHEMBL6996663

SCHEMBL6996663

CCC(N)c1ccc2c(c1)N=C(N)C(C)O2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.34
ROCK1 Q13464 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
SCHEMBL8119455 0.87
SCHEMBL7001034 0.85 LMNA (0.33)
Hydrochloric Acid SCHEMBL6308993 0.83
Hydrochloric Acid SCHEMBL6305983 0.80 HTR2A (0.31)
Hydrochloric Acid SCHEMBL5189544 0.80
Hydrochloric Acid SCHEMBL6302802 0.75
Hydrochloric Acid SCHEMBL7711158 0.75 PARP1 (0.34)
SCHEMBL5671427 0.74 NOS3 (0.43)
SCHEMBL7985549 0.73 MAPT (0.43)
SCHEMBL7989336 0.73 MAPT (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed