SCHEMBL9866903

SCHEMBL9866903

O=C1c2ccccc2C(O)N1CCCN1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.51
▸ HTR1A P08908 4/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HTR7 P34969 2/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ DRD4 P21917 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ HTR6 P50406 1/20 0.44

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 SCHEMBL9868486 0.96 SIGMAR1 (0.53) SIGMAR1HTR1AL3MBTL1HTR7DRD2
SCHEMBL9867662 0.92 HTR1A (0.57) SIGMAR1HTR1AL3MBTL1PARP1
Oxalic Acid SCHEMBL9867184 0.89 HTR1A (0.54) SIGMAR1HTR1AL3MBTL1PARP1
SCHEMBL9868497 0.86 SIGMAR1 (0.50) SIGMAR1HTR1AHTR7DRD2PARP1
SCHEMBL9867975 0.86 HTR1A (0.49) SIGMAR1HTR1AHTR7DRD2PARP1
Oxalic Acid SCHEMBL9867718 0.84 SIGMAR1 (0.50) SIGMAR1HTR1AHTR7DRD2PARP1
SCHEMBL11630735 0.83 HTR1A (0.48) SIGMAR1HTR1AL3MBTL1HTR7DRD2
SCHEMBL11633300 0.79 HTR1A (0.50) SIGMAR1HTR1AHTR7PARP1
SCHEMBL11632779 0.79 HTR1A (0.50) SIGMAR1HTR1AHTR7PARP1
SCHEMBL9869152 0.79 HTR1A (0.55) SIGMAR1HTR1AHTR7PARP1

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