SCHEMBL9867662

SCHEMBL9867662

O=C1c2ccccc2C(O)N1CCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SIGMAR1 Q99720 2/20 0.48
▸ PARP1 P09874 5/20 0.46

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
Oxalic Acid SCHEMBL9867184 0.97 HTR1A (0.54) HTR1AL3MBTL1SIGMAR1PARP1
SCHEMBL9866903 0.92 SIGMAR1 (0.51) HTR1AL3MBTL1SIGMAR1PARP1
Oxalic Acid SCHEMBL9868486 0.90 SIGMAR1 (0.53) HTR1AL3MBTL1SIGMAR1PARP1
SCHEMBL11633300 0.87 HTR1A (0.50) HTR1ASIGMAR1PARP1
SCHEMBL11632779 0.87 HTR1A (0.50) HTR1ASIGMAR1PARP1
SCHEMBL9867994 0.87 HTR1A (0.57) HTR1ASIGMAR1PARP1
SCHEMBL9867198 0.85 HTR1A (0.53) HTR1ASIGMAR1PARP1
Oxalic Acid SCHEMBL9867890 0.85 HTR1A (0.53) HTR1ASIGMAR1PARP1
SCHEMBL9869152 0.85 HTR1A (0.55) HTR1ASIGMAR1PARP1
SCHEMBL9867083 0.85 HTR1A (0.55) HTR1ASIGMAR1PARP1

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
US-4999355-A Antiserotonine agents RHONE-POULENC (FR) 1991-03-12 — — US disclosed
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