SCHEMBL9868497

SCHEMBL9868497

O=C(OC1c2ccccc2C(=O)N1CCCN1CC=C(c2ccc(F)cc2)CC1)C(=O)OC1c2ccccc2C(=O)N1CCCN1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.50
▸ HTR1A P08908 6/20 0.48
▸ DRD2 P14416 3/20 0.47
▸ HTR7 P34969 2/20 0.45
▸ PARP1 P09874 2/20 0.44
▸ DRD4 P21917 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HTR6 P50406 1/20 0.42

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
SCHEMBL9867198 0.92 HTR1A (0.53) SIGMAR1HTR1APARP1
SCHEMBL9867975 0.89 HTR1A (0.49) SIGMAR1HTR1ADRD2HTR7PARP1
Oxalic Acid SCHEMBL9867718 0.88 SIGMAR1 (0.50) SIGMAR1HTR1ADRD2HTR7PARP1
SCHEMBL9866903 0.86 SIGMAR1 (0.51) SIGMAR1HTR1ADRD2HTR7PARP1
Oxalic Acid SCHEMBL9868486 0.85 SIGMAR1 (0.53) SIGMAR1HTR1ADRD2HTR7PARP1
SCHEMBL9867799 0.85 HTR1A (0.51) SIGMAR1HTR1APARP1
Oxalic Acid SCHEMBL9868595 0.83 HTR1A (0.49) SIGMAR1HTR1APARP1
Oxalic Acid SCHEMBL9867563 0.81 HTR1A (0.51) SIGMAR1HTR1APARP1DRD3
Oxalic Acid SCHEMBL9866814 0.81 HTR1A (0.47) SIGMAR1HTR1APARP1
Oxalic Acid SCHEMBL9868038 0.81 HTR1A (0.47) SIGMAR1HTR1APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2072158-A — — None — — JP disclosed
US-4999355-A Antiserotonine agents RHONE-POULENC (FR) 1991-03-12 — — US disclosed
JP-H0272158-A ISOINDOLINONE DERIVATIVE, ITS PREPARATION AND DRUG CONTAINING THE SAME RHONE POULENC SANTE 1990-03-12 — — JP disclosed
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