SCHEMBL9210562

SCHEMBL9210562

O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.81
DRD2 P14416 1/20 0.81
HTR2A P28223 1/20 0.81
HTR7 P34969 1/20 0.81
HTR6 P50406 1/20 0.81

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 SCHEMBL27450545 0.99 HTR1A (0.79) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9383206 0.90 HTR1A (0.98) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9207622 0.90 HTR1A (0.85) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9382217 0.89 HTR1A (0.96) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9390800 0.89 HTR1A (0.84) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9596437 0.89 HTR1A (0.98) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9376365 0.85 HTR1A (0.84) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9202575 0.85
SCHEMBL9208667 0.85
SCHEMBL9035939 0.84 HTR1A (0.80) HTR1ADRD2HTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1117731-A Heteroaromatic compounds with antipsychotic activity WELLCOME FOUND (GB) 1996-02-28 CN claimed
EP-0683778-A1 HETEROAROMATIC COMPOUNDS WITH ANTIPSYCHOTIC ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-29 EP claimed
WO-1994018196-A1 HETEROAROMATIC COMPOUNDS WITH ANTIPSYCHOTIC ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-08-18 WO claimed
CN-1117731-A Heteroaromatic compounds with antipsychotic activity WELLCOME FOUND (GB) 1996-02-28 CN disclosed
EP-0683778-A1 HETEROAROMATIC COMPOUNDS WITH ANTIPSYCHOTIC ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-29 EP disclosed
WO-1994018196-A1 HETEROAROMATIC COMPOUNDS WITH ANTIPSYCHOTIC ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-08-18 WO disclosed