SCHEMBL6023512

SCHEMBL6023512

CCCNC(CCC)Cc1ccc2cc(OC)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.53
ADRB2 P07550 2/20 0.50
RAD52 P43351 1/20 0.47
PAX8 Q06710 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
SLC2A1 P11166 1/20 0.45

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
SCHEMBL6023885 0.84 SIGMAR1 (0.53) SIGMAR1
Hydrochloric Acid SCHEMBL6024499 0.83 SIGMAR1 (0.52) SIGMAR1
Maleic Acid SCHEMBL6023259 0.75 SIGMAR1 (0.47) SIGMAR1
Fumaric Acid SCHEMBL6023402 0.75 SIGMAR1 (0.47) SIGMAR1
SCHEMBL6024171 0.74 TAS1R3 (0.51) SIGMAR1TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL6024287 0.73 TAS1R3 (0.50) SIGMAR1TAS1R3TAS1R1
SCHEMBL13484112 0.72 PTGS1 (0.54) RAD52PAX8SLC2A1
SCHEMBL28033428 0.71 BDKRB2 (0.45) RAD52PAX8SLC2A1
SCHEMBL4672629 0.71 SLC2A1 (0.72) RAD52PAX8SLC2A1
SCHEMBL6024641 0.71 SIGMAR1 (0.73) SIGMAR1ADRB2

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
EP-0957080-B1 NOVEL ETHYLAMINE DERIVATIVES FUJIMOTO BROTHERS CO LTD (JP) 2006-06-21 EP claimed
US-6214859-B1 PSYCHOLOGICAL DISORDERS; ALZHEIMER'S DISORDERS; PARKINSON'SDISORDERS FUJIMOTO BROTHERS CO., LTD. (JP) 2001-04-10 US claimed
EP-0957080-A1 NOVEL ETHYLAMINE DERIVATIVES Fujimoto Brothers Co., Ltd. (JP) 1999-11-17 EP claimed