SCHEMBL9517210

SCHEMBL9517210

NC(CCCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)CSc1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ STAT3 P40763 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTR1A P08908 2/20 0.36
▸ GFER P55789 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ HTR2A P28223 1/20 0.35

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
SCHEMBL9516852 0.87 MAPT (0.40) MAPTTDP1ALDH1A1POLBDRD2
SCHEMBL9517046 0.84 MAPT (0.54) MAPTSTAT3TDP1HTR1ACYP1A2
SCHEMBL9513853 0.84 SMN1; SMN2 (0.49) MAPTHTR1AALDH1A1DRD2HTR2A
SCHEMBL9515163 0.84 STAT3 (0.40) MAPTSTAT3TDP1HTR1AGFER
SCHEMBL9513786 0.83 NPC1 (0.48) STAT3HTR1AALDH1A1
SCHEMBL9596806 0.82 MAPT (0.51) MAPTSTAT3TDP1HTR1ACYP2C19
SCHEMBL9514704 0.82 NPC1 (0.47) STAT3HTR1AALDH1A1
SCHEMBL9517236 0.80 HTR1A (0.43) MAPTSTAT3TDP1HTR1AGFER
SCHEMBL9516240 0.80 NPC1 (0.48) STAT3HTR1AALDH1A1
SCHEMBL9513686 0.78 SIGMAR1 (0.47) STAT3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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