SCHEMBL9513608

SCHEMBL9513608

COc1ccc2[nH]cc(OCC(N)CCCCN3C(=O)c4ccccc4C3=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.62
▸ MEN1 O00255 5/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ LMNA P02545 4/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HTR1A P08908 4/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NTRK1 P04629 1/20 0.41

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
SCHEMBL9517255 0.84 SMN1; SMN2 (0.50) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9515127 0.83 LMNA (0.41) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9517218 0.83 HTR1A (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9513635 0.82 MAPT (0.61) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9513567 0.81 HTR1A (0.46) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9516233 0.80 ALDH1A1 (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8229566 0.74 MAPT (0.87) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9658888 0.72 HDAC3 (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9596924 0.72 MAPT (0.67) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5937224 0.72 HTR1A (0.71) HTR1AHTR2A

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
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 — — EP claimed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 — — WO claimed
US-5227488-A AZA SPIRO DECANE AND USE THEREOF IN TREATING CNS DISORDERS NOVO NORDISK A/S (DK) 1993-07-13 — — US disclosed
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 — — EP disclosed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 — — WO disclosed
Send feedback