SCHEMBL9869152

SCHEMBL9869152

CSC1c2ccccc2C(=O)N1CCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.55
▸ PARP1 P09874 7/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ HTR7 P34969 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
Oxalic Acid SCHEMBL9868245 0.96 HTR1A (0.51) HTR1APARP1SIGMAR1HTR7
SCHEMBL9867994 0.87 HTR1A (0.57) HTR1APARP1SIGMAR1HTR7
SCHEMBL9867083 0.85 HTR1A (0.55) HTR1APARP1SIGMAR1
SCHEMBL9867662 0.85 HTR1A (0.57) HTR1APARP1SIGMAR1
SCHEMBL9868604 0.84 HTR1A (0.54) HTR1APARP1SIGMAR1
Oxalic Acid SCHEMBL9867890 0.83 HTR1A (0.53) HTR1APARP1SIGMAR1HTR7
Oxalic Acid SCHEMBL9867184 0.82 HTR1A (0.54) HTR1APARP1SIGMAR1
SCHEMBL9867799 0.82 HTR1A (0.51) HTR1APARP1SIGMAR1
Oxalic Acid SCHEMBL9867563 0.82 HTR1A (0.51) HTR1APARP1SIGMAR1
SCHEMBL9868930 0.81 HTR1A (0.53) HTR1APARP1SIGMAR1

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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