SCHEMBL19255044

SCHEMBL19255044

N[C@H]1COc2c(Cl)cccc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.38
HTR1A P08908 4/20 0.38
HTR2C P28335 4/20 0.38
HTR7 P34969 4/20 0.38
HTR1D P28221 3/20 0.37
HTR2A P28223 1/20 0.37
HTR3A P46098 1/20 0.37
HTR6 P50406 1/20 0.37
HRH1 P35367 1/20 0.37
CA2 P00918 1/20 0.36
CES1 P23141 1/20 0.36
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNG7 P62955 1/20 0.34

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
SCHEMBL17321229 0.82 CREBBP (0.48) HTR5ACES1CACNG8BLMSMYD3
SCHEMBL12345900 0.78 ADRA2A (0.38) HTR1AHTR7MEN1KMT2ABRD4
Hydrochloric Acid SCHEMBL2236148 0.77 ANPEP (0.39) HTR1AHTR7BRD4CREBBP
SCHEMBL15964565 0.76 CA2 (0.39) HTR5ACA2CES1CACNB4CACNA1A
SCHEMBL24029073 0.75 HTR5A (0.47) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL1562673 0.74 PARP1 (0.49) BLMMEN1GRIN2DLMNACYP3A4
SCHEMBL1562671 0.74 PARP1 (0.49) BLMMEN1GRIN2DLMNACYP3A4
Hydrochloric Acid SCHEMBL2235593 0.73 PARP1 (0.47) BLMMEN1GRIN2DLMNACYP3A4
Hydrochloric Acid SCHEMBL4797679 0.73 PARP1 (0.47) BLMMEN1GRIN2DLMNACYP3A4
Hydrochloric Acid SCHEMBL2235597 0.73 PARP1 (0.47) BLMMEN1GRIN2DLMNACYP3A4

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
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed