SCHEMBL9516882

SCHEMBL9516882

CC(C)C(C)NC(=O)/C=C/C=C/C1CC1c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.36
LMNA P02545 1/20 0.35
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
SLC6A2 P23975 3/20 0.34
KCNH2 Q12809 2/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GRIA4 P48058 2/20 0.33
GRIA2 P42262 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL9515697 1.00 PRCP (0.36) PRCPLMNASLC6A4SLC6A3SLC6A2
SCHEMBL9515693 1.00 PRCP (0.36) PRCPLMNASLC6A4SLC6A3SLC6A2
SCHEMBL9516802 0.87 RECQL (0.30)
SCHEMBL9515751 0.87 RECQL (0.30)
SCHEMBL9515756 0.87 RECQL (0.30)
SCHEMBL9518875 0.86 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL10436466 0.86 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL9518884 0.86 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL9515177 0.85 KMT2A (0.32) LMNASLC6A4SLC6A3SLC6A2
SCHEMBL9515140 0.85 SLC6A3 (0.31) SLC6A4SLC6A3SLC6A2

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
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP claimed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US claimed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP claimed
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed