SCHEMBL6816969

SCHEMBL6816969

c1ccc2c(C3CCCNC3)onc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM1A O60341 2/20 0.41
CHRM1 P11229 2/20 0.40
HRH1 P35367 2/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL31357942 1.00 HTR2A (0.44) HTR2AHTR2CKCNH2KDM1ACHRM1
SCHEMBL31357998 1.00 HTR2A (0.44) HTR2AHTR2CKCNH2KDM1ACHRM1
SCHEMBL14685960 0.81 MEN1 (0.43) HTR2AHTR2CKCNH2
Hydrochloric Acid SCHEMBL8463063 0.80 HTR2C (0.43) HTR2AHTR2CKCNH2
SCHEMBL795369 0.73 HTR2A (0.44) HTR2AHTR2CKCNH2DRD2DRD3
SCHEMBL6188024 0.73 REN (0.31) KCNH2
SCHEMBL10902484 0.72 HTR2A (0.45) HTR2AHTR2CKCNH2DRD2DRD3
Hydrochloric Acid SCHEMBL8679453 0.70 MPO (0.52) HTR2AHTR2CKCNH2DRD2
SCHEMBL27666015 0.69 HTR2A (0.42) HTR2AHTR2CKCNH2CHRM1HRH1
SCHEMBL381572 0.68 SLC18A3 (0.59) HTR2AHTR2CKCNH2KDM1ADRD2

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
WO-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed
WO-2004009591-A1 A PROCESS FOR THE PREPARATION OF ANTIPSYCHOTIC RISPERIDONE AUROBINDO PHARMA LTD. (IN) 2004-01-29 WO disclosed