SCHEMBL11329993

SCHEMBL11329993

C1=C(c2c[nH]c3ccccc23)CCN(CCc2ccccc2)C1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.78
DRD2 P14416 6/20 0.78
HTR2A P28223 4/20 0.78
HTT P42858 1/20 0.78
SIGMAR1 Q99720 2/20 0.71
KDM4E B2RXH2 2/20 0.70
LMNA P02545 2/20 0.70
ALOX15 P16050 2/20 0.70
SLC6A4 P31645 2/20 0.63
POLB P06746 1/20 0.63
HTR6 P50406 1/20 0.63
HSD17B10 Q99714 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TMEM97 Q5BJF2 1/20 0.62
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60

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
Hydrochloric Acid SCHEMBL11318644 1.00 HTR1A (0.78) HTR1ADRD2HTR2AHTTSIGMAR1
SCHEMBL7543848 0.88 HTR1A (1.00) HTR1ADRD2HTR2AHTTSIGMAR1
SCHEMBL10677156 0.86 HTR1A (0.59) HTR1ADRD2HTR2AHTTSIGMAR1
SCHEMBL11223590 0.85 KDM4E (0.73) HTR1ADRD2HTR2AHTTSIGMAR1
SCHEMBL4482017 0.85 KDM4E (0.73) HTR1ADRD2HTR2AHTTSIGMAR1
Hydrochloric Acid SCHEMBL11313113 0.85 KDM4E (0.81) HTR1ADRD2HTR2AHTTSIGMAR1
SCHEMBL11315106 0.85 KDM4E (0.81) HTR1ADRD2HTR2AHTTSIGMAR1
SCHEMBL7527363 0.84 SLC6A4 (0.66) HTR1ADRD2HTR2AHTTSIGMAR1
SCHEMBL9467235 0.83 SIGMAR1 (1.00) HTR1ADRD2HTR2AHTTSIGMAR1
SCHEMBL4491839 0.83 KDM4E (0.70) HTR1ADRD2HTR2AHTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4278677-A Tetrahydropyridinyl indoles ROUSSEL UCLAF (FR) 1981-07-14 US disclosed