SCHEMBL7512987

SCHEMBL7512987

N=C(Nc1ccc2c(c1)CN1CCOCC1C2)C1=CC=CCC1=S

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
AVPR2 P30518 15/20 0.32
AVPR1A P37288 13/20 0.32

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
SCHEMBL7515445 0.85 L3MBTL3 (0.34)
SCHEMBL7515962 0.84 L3MBTL3 (0.35)
SCHEMBL7512824 0.83 L3MBTL3 (0.35)
SCHEMBL7550546 0.83 HTR2A (0.33)
SCHEMBL7510864 0.77
SCHEMBL7514910 0.76 CHRNB4 (0.33)
SCHEMBL7827664 0.76 ROCK2 (0.38)
SCHEMBL7518500 0.76 ALDH1A1 (0.31)
SCHEMBL7510035 0.75 NPC1 (0.41) AVPR2AVPR1A
SCHEMBL7512428 0.75 L3MBTL3 (0.31)

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
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP claimed