SCHEMBL9613799

SCHEMBL9613799

O=C1c2ccccc2C(=O)N1CCCCNCCc1c[nH]c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ MEN1 O00255 4/20 0.70
▸ KMT2A Q03164 4/20 0.70
▸ NPC1 O15118 2/20 0.70
▸ RAB9A P51151 2/20 0.70
▸ GAA P10253 2/20 0.70
▸ LMNA P02545 3/20 0.57
▸ HTT P42858 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ MC5R P33032 1/20 0.54
▸ MC3R P41968 1/20 0.54
▸ MC1R Q01726 1/20 0.54
▸ G6PD P11413 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HTR2A P28223 1/20 0.53
▸ ACHE P22303 2/20 0.50

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
SCHEMBL21225808 0.86 MAPT (0.90) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL735125 0.83 MAPT (1.00) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL17232881 0.79 MC5R (0.83) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL7970552 0.77 MC5R (0.81) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL6980636 0.77 MEN1 (0.64) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL1325639 0.77 HTR2A (0.73) MEN1KMT2ALMNAHTTMC5R
SCHEMBL9596924 0.76 MAPT (0.67) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL7946668 0.76 ACHE (0.74) ACHE
SCHEMBL9827604 0.76 ACHE (0.69) ACHE
SCHEMBL1725569 0.76 HTR2A (0.71) MEN1KMT2ALMNAHTTMC5R

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-0515462-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1992-12-02 — — EP disclosed
WO-1991012252-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-08-22 — — WO disclosed
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