SCHEMBL7420628

SCHEMBL7420628

O=[C]Cn1cnc2cncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.54
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LTA4H P09960 1/20 0.43
CYP1A2 P05177 13/20 0.37
CYP2C19 P33261 11/20 0.37
CYP3A4 P08684 11/20 0.37
CYP2C9 P11712 11/20 0.37
ALDH1A1 P00352 10/20 0.37
LMNA P02545 7/20 0.37
TSHR P16473 7/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HBB P68871 1/20 0.37
USP2 O75604 7/20 0.35
CLK4 Q9HAZ1 4/20 0.34
CYP2D6 P10635 3/20 0.34
MKNK2 Q9HBH9 1/20 0.34
DNMT3B Q9UBC3 1/20 0.32
HSD17B10 Q99714 3/20 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
SCHEMBL20472694 0.83 FDPS (0.50) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL9597540 0.77 FDPS (0.55) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28817988 0.77 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL11200763 0.77 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL29941724 0.77 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL6125409 0.77 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL10857669 0.77 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL5062453 0.77 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL4558644 0.76 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL6005045 0.76 FDPS (0.50) FDPSHDAC1HDAC6LTA4HCYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277838-B1 ADMINISTERING DOSAGE OF ANXIOLYTIC AGENT TO ANIMAL COCENSYS, INC. 2001-08-21 US claimed
EP-0752860-B1 ANDROSTANES AND PREGNANES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR EURO CELTIQUE SA (LU) 2000-08-23 EP claimed
US-5939545-A MODULATING THE GABA.SUB.A (GAMMA-AMINOBUTYRIC ACID A) RECEPTOR-CHLORIDE IONOPHORE COMPLEX TO ALLEVIATE STRESS, ANXIETY, SEIZURES, MOOD DISORDERS, PMS (PREMENSTRUAL SYNDROME) AND PND (POSTNATAL DEPRESSION) AND TO INDUCE ANESTHESIA COCENSYS, INC. (US) 1999-08-17 US claimed
EP-0752860-A4 ANDROSTANES AND PREGNANES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR COCENSYS INC (US) 1998-05-06 EP claimed
EP-0752860-A1 ANDROSTANES AND PREGNANES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR COCENSYS, INC. (US) 1997-01-15 EP claimed
WO-1995021617-A1 ANDROSTANES AND PREGNANES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR COCENSYS, INC. (US) 1995-08-17 WO claimed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed