SCHEMBL8130409

SCHEMBL8130409

CC(=O)Nc1ccc(C2=CCN(C)CC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.53
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HTR1A P08908 1/20 0.49
ALOX15 P16050 1/20 0.49
SLC6A4 P31645 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL8122236 0.92 HTR6 (0.50) HTR6KDM4ELMNAPOLBHTR1A
SCHEMBL7255363 0.72 HTR6 (0.58) HTR6KDM4ELMNAPOLBHTR1A
SCHEMBL3336465 0.71 HTR6 (0.74) HTR6DRD2
SCHEMBL8344859 0.71 QDPR (0.49)
Bromide SCHEMBL9325716 0.71 HTR6 (0.57) HTR6KDM4ELMNAPOLBHTR1A
SCHEMBL7480892 0.69 NOS3 (0.68) SLC6A4
SCHEMBL1673482 0.68 HTR6 (0.54) HTR6KDM4ELMNAPOLBHTR1A
SCHEMBL13647405 0.68 QDPR (0.40) HTR6KDM4EALDH1A1GAA
SCHEMBL1720553 0.68 SLC6A4 (0.72) HTR6KDM4ELMNAPOLBHTR1A
Hydrochloric Acid SCHEMBL1148906 0.67 QDPR (0.65) HTR6KDM4ELMNAPOLBHTR1A

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-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed