SCHEMBL29923574

SCHEMBL29923574

NC[C@@H]1CCOc2c(-c3ccncc3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR1A P08908 3/20 0.33
HTR7 P34969 2/20 0.33
HTR2B P41595 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTR2C P28335 1/20 0.33
KDM4C Q9H3R0 8/20 0.32
KDM6B O15054 3/20 0.32
ADRA2A P08913 5/20 0.32
ADRA1A P35348 4/20 0.32
ADRA1D P25100 1/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 2/20 0.32

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
SCHEMBL27214552 1.00 HTR2A (0.34) HTR2AHTR1AHTR7HTR2BTMEM97
SCHEMBL27231098 1.00 HTR2A (0.34) HTR2AHTR1AHTR7HTR2BTMEM97
SCHEMBL27214619 1.00 HTR2A (0.34) HTR2AHTR1AHTR7HTR2BTMEM97
Hydrochloric Acid SCHEMBL27214635 0.99 HTR2C (0.35) HTR2AHTR1AHTR7HTR2BTMEM97
Hydrochloric Acid SCHEMBL27215447 0.99 HTR2C (0.35) HTR2AHTR1AHTR7HTR2BTMEM97
Hydrochloric Acid SCHEMBL29923679 0.99 HTR2C (0.35) HTR2AHTR1AHTR7HTR2BTMEM97
Hydrochloric Acid SCHEMBL29923682 0.99 HTR2C (0.35) HTR2AHTR1AHTR7HTR2BTMEM97
Hydrochloric Acid SCHEMBL27214611 0.99 HTR2C (0.35) HTR2AHTR1AHTR7HTR2BTMEM97
SCHEMBL27214638 0.83 HTR1A (0.39) HTR1AKDM4CKDM6B
SCHEMBL27214528 0.83 HTR1A (0.39) HTR1AKDM4CKDM6B

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-2022217232-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed