SCHEMBL8304883

SCHEMBL8304883

CCCCN1CCC(n2nc(-c3cc(Cl)cc4c3OCC4)oc2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.35
HTR2C P28335 3/20 0.35
HTR3A P46098 3/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ADRA1A P35348 3/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR1D P28221 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
HRH1 P35367 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
SCHEMBL8305672 0.85 DRD2 (0.44) HTR2CHTR2AHTR2BSIGMAR1CHRM2
Hydrochloric Acid SCHEMBL8369921 0.84 DRD2 (0.45) HTR2CHTR2AHTR2BSIGMAR1CHRM2
SCHEMBL8306432 0.82 HTR4 (0.53) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL7804900 0.81 BRD4 (0.33) DRD2
Hydrochloric Acid SCHEMBL8364693 0.81 HTR4 (0.52) HTR4HTR2CHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL7946906 0.81 DRD2 (0.33) DRD2
SCHEMBL8304573 0.81 HTR3A (0.35) HTR2CHTR3AHTR2AHTR2B
Hydrochloric Acid SCHEMBL8369706 0.80 HTR3A (0.35) HTR2CHTR3AHTR2AHTR2B
SCHEMBL8307671 0.79 CNR1 (0.35) HTR4
SCHEMBL8308652 0.78 CNR1 (0.34) HTR4

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
US-5929089-A ANTISEROTONINE AGENT SYNTHELABO (FR) 1999-07-27 US disclosed
EP-0863897-B1 5-PHENYL-3-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES FOR USE AS 5-HT4- OR H3-RECEPTOR LIGANDS SYNTHELABO (FR) 1999-06-16 EP disclosed