SCHEMBL7501779

SCHEMBL7501779

Cn1c2ccccc2c2c(CC(=O)N3CCCC3)nn(-c3ccccc3)c(=O)c21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.55
TSHR P16473 7/20 0.51
HSD17B10 Q99714 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 5/20 0.50
GAA P10253 4/20 0.50
POLB P06746 3/20 0.50
KDM4E B2RXH2 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.45
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL7493004 0.88 TSPO (0.61) TSPOSMN1; SMN2RXFP1TP53ALDH1A1
SCHEMBL7495009 0.87 TSPO (0.46) TSPOTSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL7494763 0.86 TSPO (0.45) TSPOTSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL7750505 0.86 TSPO (0.61) TSPOTSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL7499739 0.84 MAOB (0.48) TSPOTSHRHSD17B10KMT2AGAA
SCHEMBL600372 0.82 TSPO (0.78) TSPOSMN1; SMN2POLBKDM4EMAPT
SCHEMBL6256479 0.82 TSPO (0.71) TSPOTSHRSMN1; SMN2GAAPOLB
SCHEMBL16311097 0.81 TSHR (0.68) TSHRHSD17B10SMN1; SMN2KMT2AHPGD
SCHEMBL4836958 0.80 TSPO (0.61) TSPOHPGDALDH1A1NPSR1
SCHEMBL5747445 0.80 TSPO (0.61) TSPOSMN1; SMN2HPGDKDM4ETP53

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-1000063-B1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-b]INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SYNTHELABO (FR) 2002-10-23 EP disclosed
US-6262045-B1 TREATMENT OF ANXIETY; SLEEP DISORDER; EPILEPSY; SPASTICITY; MUSCLE CONTRACTURE OR AN EXTRAPYRAMIDAL SYNDROM; INDUCING OR MAINTAINING ANAESTHESIA SANOFI-SYNTHELABO (FR) 2001-07-17 US disclosed