SCHEMBL7412372

SCHEMBL7412372

COc1ccccc1CN=C(N)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 1.00
GRIN1 Q05586 5/20 1.00
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7979449 0.79 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL4018759 0.76 GRIN2B (0.61) GRIN2BGRIN1TDP1LMNASMN1; SMN2
SCHEMBL7016188 0.73 GRIN2B (0.57) GRIN2BGRIN1TDP1LMNASMN1; SMN2
SCHEMBL7412370 0.70 HPGD (0.54) GRIN2BGRIN1TDP1LMNASMN1; SMN2
SCHEMBL2782306 0.70 GRIN2B (0.54) GRIN2BGRIN1LMNASMN1; SMN2
SCHEMBL5695116 0.68 IDO1 (0.57) GRIN2BGRIN1LMNASMN1; SMN2
SCHEMBL9317358 0.68 ALDH1A1 (0.53) GRIN2BGRIN1TDP1L3MBTL1LMNA
SCHEMBL25798810 0.67 PDE10A (0.59) GRIN2BGRIN1
SCHEMBL103278 0.67 GRIN1 (0.59) GRIN2BGRIN1TDP1LMNASMN1; SMN2
SCHEMBL7035626 0.67 GRIN1 (0.59) GRIN2BGRIN1TDP1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002544162-A 2002-12-24 JP claimed
EP-1178792-A1 ARYL AMIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2002-02-13 EP claimed
US-6319944-B1 NMDA NR2B ANTAGONISTS; NEUROLOGICAL AND NEURODEGENERATIVE DISEASES INCLUDING PAIN, (AND IN PARTICULAR NEUROPATHIC PAIN), EPILEPSY, STROKE, ANXIETY, CEREBRAL ISCHEMIA, MUSCULAR SPASMS, ALZHEIMER'S, HUNTINGTON'S AND PARKINSON'S DISEASES MERCK & CO., INC. 2001-11-20 US claimed
WO-2000067751-A1 ARYL AMIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2000-11-16 WO claimed
US-6319944-B1 NMDA NR2B ANTAGONISTS; NEUROLOGICAL AND NEURODEGENERATIVE DISEASES INCLUDING PAIN, (AND IN PARTICULAR NEUROPATHIC PAIN), EPILEPSY, STROKE, ANXIETY, CEREBRAL ISCHEMIA, MUSCULAR SPASMS, ALZHEIMER'S, HUNTINGTON'S AND PARKINSON'S DISEASES MERCK & CO., INC. 2001-11-20 US disclosed