Sugi Predict

Sugi Predict / Compounds / SCHEMBL7972156

SCHEMBL7972156

SCHEMBL7972156

CCCCCOc1ccc(N=C(N)c2cccs2)cc1CNCCO

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 7/20 0.47
▸ NOS2 P35228 6/20 0.47
▸ NOS3 P29474 6/20 0.47
▸ QRFPR Q96P65 2/20 0.46

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
SCHEMBL7973735 0.94 QRFPR (0.45) NOS1NOS2NOS3QRFPR
SCHEMBL7970445 0.88 QRFPR (0.49) NOS1NOS2NOS3QRFPR
SCHEMBL7973909 0.88 QRFPR (0.53) NOS1NOS2NOS3QRFPR
SCHEMBL7602793 0.86 QRFPR (0.61) NOS1NOS2NOS3QRFPR
SCHEMBL7973912 0.86 QRFPR (0.49) NOS1NOS2NOS3QRFPR
Hydrochloric Acid SCHEMBL7602398 0.85 QRFPR (0.60) NOS1NOS2NOS3QRFPR
SCHEMBL7973453 0.85 NOS1 (0.45) NOS1NOS2NOS3QRFPR
SCHEMBL7601242 0.84 NOS1 (0.47) NOS1NOS2NOS3QRFPR
Hydrochloric Acid SCHEMBL7973933 0.83 QRFPR (0.50) NOS1NOS2NOS3QRFPR
Hydrochloric Acid SCHEMBL7598762 0.83 NOS1 (0.48) NOS1NOS2NOS3QRFPR

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
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 — — WO claimed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 — — WO disclosed